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OH CH3 O
Cl
O
HO HO HO
Fenol 4-metil fenol 4-kloro fenol Nipagin
O O NH
2 O HN N
O S S
O O N
HO H2N H2N
Nipasol
Sulfanilamid Sulfadiazin
O H
O H N S
N NH H
SN O N
S
N
O O N2H
N O
H2N H3CO N
H2N H2N
OCH3
O
OH N+
O O- O
Cl OH
N O O
H
Cl OH N
O OH H
Chloramphenicol acetylsalicilic acid p-hydroxyacetanilide
2,2-dichloro-N-((1R,2R)-1,3-dihydroxy-1-(4- 2-acetoxybenzoic acid N-(4-hydroxyphenyl)acetamide
nitrophenyl)propan-2-yl)acetamide
OH
O
HO
H
H H
O
corticosterone
(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-
dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
O
Br OH
OH Cl
OH
NH2 O
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<Name of molecule>
<Molecular formula>
C9 H8 O4
<CAS>
50-78-2
<Molecular weight>
180.1601
-0.210
<Reference>
LEPETIT,G.,PHARMAZIE,32,289(1977)
PH = 5.0, ACETATE BUFFER; NOT ION-CORRECTED
1.240
<Reference>
FREESE,E.,LEVIN,
B.C.,PEARCE,R.,SREEVALSAN,T.,KAUFMAN,J.J.,KOSKI,W.S.,SEMO,N.M.,TERATOLOGY,20,413(1979)
AT 37 DEG. C.
-1.200
<Reference>
LA ROTONDA,M.,SILIPO,C.,ET.AL.,QUANT.STRUCT.ACT.RELAT.,2,168(1983)
1.460
<Reference>
LOMBARDINO,J.,OTTERNESS,I.,WISEMAN,E.,ARZNEIM.FORSCH.,25,1629(1975)
0.500
<Reference>
LEPETIT,G.,PHARMAZIE,32,289(1977)
PH = 4.0
1.180
<Reference>
LEPETIT,G.,PHARMAZIE,32,289(1977)
AT PH = 2.0
0.430
<Reference>
LA ROTONDA,M.,SILIPO,C.,ET.AL.,QUANT.STRUCT.ACT.RELAT.,2,168(1983)
PH = 4.50
1.130
<Reference>
LA ROTONDA,M.,SILIPO,C.,ET.AL.,QUANT.STRUCT.ACT.RELAT.,2,168(1983)
AT PH = 2.0
-0.860
<Reference>
LEPETIT,G.,PHARMAZIE,32,289(1977)
PH = 5.6, MIN. CHARGE, MAX. P; PHOSPHATE BUFFER;ALSO P VALUES AT OTHER 6.0 PH, S
-1.150
<Reference>
LOMBARDINO,J.,OTTERNESS,I.,WISEMAN,E.,ARZNEIM.FORSCH.,25,1629(1975)
1.230
<Reference>
HANSCH,C.,ANDERSON,S.,J.ORG.CHEM.,32,2538(1967)
<pKa>
3.500
<Reference>
LA ROTONDA,M.,SILIPO,C.,ET.AL.,QUANT.STRUCT.ACT.RELAT.,2,168(1983)
PH = 4.50
3.500
<Reference>
LA ROTONDA,M.,SILIPO,C.,ET.AL.,QUANT.STRUCT.ACT.RELAT.,2,168(1983)
<Reference>
LA ROTONDA,M.,SILIPO,C.,ET.AL.,QUANT.STRUCT.ACT.RELAT.,2,168(1983)
AT PH = 2.0
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Log(p)........: 1.18
St..deviation.: 0.47
Log(p)........: 1.24
St..deviation.: 0.49
Log(p)........: 0.96
St..deviation.: 0.48
************************************************************************
************************************************************************
St..deviation.: 1.27
St..deviation.: 0.77
by Viswanadhan's fragmentation: J.Chem.Inf.Comput.Sci.,29,163(1989).
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Ideal gas thermal capacity for T= 298.15 [K] and p=1atm: 184.05 [J/(mol.K)]