Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04500"
| Predicate | Value (sorted: none) |
|---|---|
| rdfs:label |
"4-acetamidobenzoic acid"
|
| drugbank:description |
"
556-08-1
experimental
This compound belongs to the aminobenzoic acid derivatives. These are benzoic acids (or derivative thereof) containing an amine group attached to the benzene moiety.
Aminobenzoic Acid Derivatives
Organic Compounds
Benzenoids
Benzene and Substituted Derivatives
Benzoic Acid and Derivatives
Anilides
Benzoic Acids
Benzoyl Derivatives
Secondary Carboxylic Acid Amides
Enolates
Polyamines
Carboxylic Acids
benzoyl
secondary carboxylic acid amide
carboxamide group
enolate
polyamine
carboxylic acid derivative
carboxylic acid
amine
organonitrogen compound
4-(Acetylamino)benzoic acid
4-Acetylaminobenzoic acid
4-Carboxyacetanilide
4'-Carboxyacetanilide
Acedoben
Acedobene
Acedobenum
N-Acetyl-p-aminobenzoic acid
N-Acetyl-PABA
p-Acetamidobenzoic acid
p-Acetaminobenzoic acid
p-Acetoaminobenzoic acid
p-Acetylaminobenzoic acid
PAAB
PAcBA
Para acetamido benzoic acid
logP
1.14
ALOGPS
logS
-2.1
ALOGPS
Water Solubility
1.36e+00 g/l
ALOGPS
logP
0.87
ChemAxon
IUPAC Name
4-acetamidobenzoic acid
ChemAxon
Traditional IUPAC Name
4-acetamidobenzoic acid
ChemAxon
Molecular Weight
179.1727
ChemAxon
Monoisotopic Weight
179.058243159
ChemAxon
SMILES
CC(=O)NC1=CC=C(C=C1)C(O)=O
ChemAxon
Molecular Formula
C9H9NO3
ChemAxon
InChI
InChI=1S/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)
ChemAxon
InChIKey
InChIKey=QCXJEYYXVJIFCE-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
66.4
ChemAxon
Refractivity
48.18
ChemAxon
Polarizability
17.82
ChemAxon
Rotatable Bond Count
2
ChemAxon
H Bond Acceptor Count
3
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
4.16
ChemAxon
pKa (strongest basic)
-4.4
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
Melting Point
260 dec °C
PhysProp
logP
1.31
HANSCH,C ET AL. (1995)
PubChem Compound
19266
PubChem Substance
46507151
PDB
TYZ
"
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| owl:sameAs | |
| rdf:type |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object