Molecule

ID:7800

General Information
Structure
MolImage
Molecular Formula
C₇H₇NO₂
Molecular Mass
137.13598
Exact Mass
137.04767847
Charge
0
InChI
InChI=1S/C7H7NO2/c8-7(10)5-1-3-6(9)4-2-5/h1-4,9H,(H2,8,10)
InChIKey
QXSAKPUBHTZHKW-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1ccc(cc1)O
Isomeric Smiles
c1c(ccc(c1)C(=O)N)O
Calculated Properties
JChem
Acid pKa
8.494483
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.5198831
LogD (pH = 7.4)
0.4869402
Log P
0.5203208
Molar Refractivity
37.1173
Polarizability
13.781023
Polar Surface Area
63.32
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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