Molecule

ID:127889

General Information
Structure
MolImage
Molecular Formula
C₉H₆O₂
Molecular Mass
146.14274
Exact Mass
146.03677943
Charge
0
InChI
InChI=1S/C9H6O2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H
InChIKey
IQZZFVDIZRWADY-UHFFFAOYSA-N
Canonic Smiles
O=c1occc2c1cccc2
Isomeric Smiles
O=c1occc2c1cccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.0533903
LogD (pH = 7.4)
2.0533903
Log P
2.0533903
Molar Refractivity
41.486
Polarizability
15.686422
Polar Surface Area
26.3
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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