NAMA STRUKTUR SIFAT FISIKOKIMIA

Fenol

pKa : 9.900
BM : 94.1130

4-metil fenol

pKa : 10.050
BM : 108.1399

4-kloro fenol
 pKa : 9.290
BM : 128.5578

Nipagin

pKa : 8.470
BM : 152.1497

Nipasol

pKa : 8.470
BM : 166.1766

Sulfanilamid

pKa : 10.100
BM : 172.2078
Sulfamerazin

pKa :
BM : 264.3080

Sulfadiazin

pKa : 6.480
BM : 250.2812

Sulfaguanidin

pKa :
BM : 214.2482
Sulfadoksin

pKa :
BM : 310.3337
 NAMA STRUKTUR FISIKOKIMIA

Fenobarbital

pKa : 7.360
BM : 232.2390

Asam Mefenamat

Report Asam Mefenamat:

*** Physical Property Report Generated By CS ChemProp ***

************************************************************************
Data from database
************************************************************************

<Name of molecule>
N-Phenylanthranilic acid,2',3'-dimethyl

<Molecular formula>
C15 H15 N O2

<Molecular weight>
241.2896

<Partition Coefficient (Log Kow); n-octanol/water>

5.120

<Reference>
LA ROTONDA,M.,SILIPO,C.,ET.AL.,QUANT.STRUCT.ACT.RELAT.,2,168(1983)
 AT PH = 2.0

2.000

<Reference>
LA ROTONDA,M.,SILIPO,C.,ET.AL.,QUANT.STRUCT.ACT.RELAT.,2,168(1983)

PH= 7.4, PHOSPHATE BUFFER; NOT ION-CORRECTED

2.370

<Reference>
TERADA,H.,MURAOKA,S.,FUJITA,T.,J.MED.CHEM.,17,330(1974)

PH = 7.0, PHOSPHATE BUFFER; NOT ION CORRECTED

2.050

<Reference>
MENASSE,R.,ET.AL.,SCAND.J.RHEUMAT.,SUPPL.22,5(1978)

PH= 7.4, PHOSPHATE BUFFER; NOT ION-CORRECTED

4.300

<Reference>
LA ROTONDA,M.,SILIPO,C.,ET.AL.,QUANT.STRUCT.ACT.RELAT.,2,168(1983)

PH = 4.50

5.370

<Reference>
TERADA,H.,MURAOKA,S.,FUJITA,T.,J.MED.CHEM.,17,330(1974)

<pKa>
4.200

<Reference>
LA ROTONDA,M.,SILIPO,C.,ET.AL.,QUANT.STRUCT.ACT.RELAT.,2,168(1983)

PH = 4.50

5.800

<Reference>
TERADA,H.,MURAOKA,S.,MOL.PHARMACOL.,8,95(1971)

PH = 7.5; PHOSPHATE OR RINGER BUFFER; NOTION-CORRECTED

4.330

<Reference>
TERADA,H.,MURAOKA,S.,FUJITA,T.,J.MED.CHEM.,17,330(1974)
 PH = 7.0, PHOSPHATE BUFFER; NOT ION CORRECTED

4.200

<Reference>
LA ROTONDA,M.,SILIPO,C.,ET.AL.,QUANT.STRUCT.ACT.RELAT.,2,168(1983)

AT PH = 2.0

4.200

<Reference>
MENASSE,R.,ET.AL.,SCAND.J.RHEUMAT.,SUPPL.22,5(1978)

PH= 7.4, PHOSPHATE BUFFER; NOT ION-CORRECTED

4.200

<Reference>
LA ROTONDA,M.,SILIPO,C.,ET.AL.,QUANT.STRUCT.ACT.RELAT.,2,168(1983)

PH= 7.4, PHOSPHATE BUFFER; NOT ION-CORRECTED

************************************************************************
Estimation of logarithm of Partition Coefficient [n-Octanol/Water] Log(p)
************************************************************************

Log(p)........: 4.03
St..deviation.: 0.47
by Crippen's fragmentation: J.Chem.Inf.Comput.Sci.,27,21(1987).

Log(p)........: 3.93
St..deviation.: 0.49
by Viswanadhan's fragmentation: J.Chem.Inf.Comput.Sci.,29,163(1989).

Estimation using Broto's fragmentation method

Log(p)........: 3.65
St..deviation.: 0.55
by Broto's method: Eur.J.Med.Chem.- Chim.Theor.,19,71(1984).

************************************************************************
Estimation of Molar Refractivity
************************************************************************

MR............: 71.80 [cm.cm.cm/mol]

St..deviation.: 1.27
by Crippen's fragmentation: J.Chem.Inf.Comput.Sci.,27,21(1987).

MR............: 71.39 [cm.cm.cm/mol]

St..deviation.: 0.77
by Viswanadhan's fragmentation: J.Chem.Inf.Comput.Sci.,29,163(1989).
************************************************************************
Estimation of Henry's Constant (H)
************************************************************************

1. method: H = 8.977 log[unitless]

Estimation of mean error..: 0.340

2. method: The Method is not usable for this type of molecule.

************************************************************************
Estimation of the Boiling and Freezing points.
************************************************************************

Normal Boiling Point [p=1atm]: 671.14 [K]

Standard Error: 20.400 [K]
Joback fragmentation method modified by S.E. Stein

Normal Boiling Point [p=1atm]: 806.78 [K]

Standard Error: Error was not estimated.
Joback fragmentation method

Freezing Point [p=1atm]: 561.97 [K]

Standard Error: 25.000 [K]
Joback fragmentation method

************************************************************************
Estimation of the Critical properties.
************************************************************************

Critical Temperature: 871.84 [K]

Standard Error: Error was not estimated.
Joback fragmentation method

Critical Pressure: 26.598 [bar]

Standard Error: Error was not estimated.
Joback fragmentation method

Critical Volume: 718.50 [cm.cm.cm/mol]

Standard Error: Error was not estimated.
Joback fragmentation method

************************************************************************
Estimation of the Thermodynamics properties
************************************************************************

Heat of Formation [T=298.15K, p=1atm]: -211.08 [kJ/mol]

Standard Error: Error was not estimated.
Joback fragmentation method

Gibbs Energy [T=298.15K, p=1atm]: 16.830 [kJ/mol]

Standard Error: Error was not estimated.
Joback fragmentation method

Ideal gas thermal capacity for T= 298.15 [K] and p=1atm: 267.00 [J/(mol.K)]
Standard Error: Error was not estimated.
Joback fragmentation method
 NAMA STRUKTUR SIFAT FISIKOKIMIA

Amoxicillin

Simvastatin

Morohine

pKa : 7.930
BM : 285.3428