Molecule

ID:79920

General Information
Structure
MolImage
Molecular Formula
C₉H₆O₂
Molecular Mass
146.14274
Exact Mass
146.03677943
Charge
0
InChI
InChI=1S/C9H6O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H
InChIKey
OTAFHZMPRISVEM-UHFFFAOYSA-N
Canonic Smiles
O=c1ccoc2c1cccc2
Isomeric Smiles
o1ccc(=O)c2ccccc12
Calculated Properties
JChem
Acid pKa
15.495497
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6694806
LogD (pH = 7.4)
1.6694806
Log P
1.6694806
Molar Refractivity
41.2881
Polarizability
15.606165
Polar Surface Area
26.3
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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