Molecule

ID:52507

General Information
Structure
MolImage
Molecular Formula
C₉H₇NO₂
Molecular Mass
161.15738
Exact Mass
161.04767847
Charge
0
InChI
InChI=1S/C9H7NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5H,1H3
InChIKey
ZXLYYQUMYFHCLQ-UHFFFAOYSA-N
Canonic Smiles
CN1C(=O)c2c(C1=O)cccc2
Isomeric Smiles
C1(=O)c2c(C(=O)N1C)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.9170991
LogD (pH = 7.4)
0.9170991
Log P
0.9170991
Molar Refractivity
44.2115
Polarizability
15.992165
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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