Molecule

ID:90780

General Information
Structure
MolImage
Molecular Formula
C₉H₇NO₂
Molecular Mass
161.15738
Exact Mass
161.04767847
Charge
0
InChI
InChI=1S/C9H7NO2/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5H,10H2
InChIKey
QWZHDKGQKYEBKK-UHFFFAOYSA-N
Canonic Smiles
O=c1oc2ccccc2cc1N
Isomeric Smiles
o1c2ccccc2cc(c1=O)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.89935434
LogD (pH = 7.4)
0.89935434
Log P
0.89935434
Molar Refractivity
45.1735
Polarizability
16.833742
Polar Surface Area
52.32
Rotatable Bonds
0
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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