Molecule

ID:69832

General Information
Structure
MolImage
Molecular Formula
C₉H₇NO
Molecular Mass
145.15798
Exact Mass
145.05276385
Charge
0
InChI
InChI=1S/C9H7NO/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKey
RZIAABRFQASVSW-UHFFFAOYSA-N
Canonic Smiles
[O-][n+]1ccc2c(c1)cccc2
Isomeric Smiles
c1[n+](ccc2ccccc12)[O-]
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.48487592
LogD (pH = 7.4)
0.484893
Log P
0.48489323
Molar Refractivity
43.6636
Polarizability
17.439768
Polar Surface Area
26.94
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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