Molecule

ID:60680

General Information
Structure
MolImage
Molecular Formula
C₉H₇NO₂
Molecular Mass
161.15738
Exact Mass
161.04767847
Charge
0
InChI
InChI=1S/C9H7NO2/c1-10-7-5-3-2-4-6(7)8(11)9(10)12/h2-5H,1H3
InChIKey
VCYBVWFTGAZHGH-UHFFFAOYSA-N
Canonic Smiles
O=C1c2ccccc2N(C1=O)C
Isomeric Smiles
C1(=O)N(c2c(C1=O)cccc2)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.81560963
LogD (pH = 7.4)
0.81560963
Log P
0.81560963
Molar Refractivity
43.5909
Polarizability
16.377415
Polar Surface Area
37.38
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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