Molecule

ID:6398

General Information
Structure
MolImage
Molecular Formula
C₇H₇NO₂
Molecular Mass
137.13598
Exact Mass
137.04767847
Charge
0
InChI
InChI=1S/C7H7NO2/c8-7(10)5-3-1-2-4-6(5)9/h1-4,9H,(H2,8,10)
InChIKey
SKZKKFZAGNVIMN-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1ccccc1O
Isomeric Smiles
Oc1c(cccc1)C(=O)N
Calculated Properties
JChem
LogD (pH = 7.4)
1.11
LogD (pH = 5.5)
1.17
Log P
1.17
Rotatable Bonds
1
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
8.21
Polar Surface Area
63.32
Polarizability
13.23
Molar Refractivity
37.12
LOG S
-1.17
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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