Molecule

ID:18908

General Information
Structure
MolImage
Molecular Formula
C₇H₇NO₂
Molecular Mass
137.13598
Exact Mass
137.04767847
Charge
0
InChI
InChI=1S/C7H7NO2/c1-5-2-3-6(4-8-5)7(9)10/h2-4H,1H3,(H,9,10)
InChIKey
RZOKQIPOABEQAM-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cn1)C(=O)O
Isomeric Smiles
O=C(O)c1ccc(nc1)C
Calculated Properties
JChem
Acid pKa
1.9656993
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.1559364
LogD (pH = 7.4)
-2.4363825
Log P
-0.99527913
Molar Refractivity
35.7488
Polarizability
13.548291
Polar Surface Area
50.19
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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