Molecule

ID:72050

General Information
Structure
Molecular Formula
C₉H₆O₂
Molecular Mass
146.14274
Exact Mass
146.03677943
Charge
0
InChI
InChI=1S/C9H6O2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-6H
InChIKey
XUMWJQJGCFTJOE-UHFFFAOYSA-N
Canonic Smiles
O=Cc1coc2c1cccc2
Isomeric Smiles
c1(coc2c1cccc2)C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8448715
LogD (pH = 7.4)
1.8448715
Log P
1.8448715
Molar Refractivity
41.4831
Polarizability
16.61526
Polar Surface Area
30.21
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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