Molecule
ID:77776
General Information
Molecular Formula
C₉H₈O₂
Molecular Mass
148.15862
Exact Mass
148.0524295
Charge
0
InChI
InChI=1S/C9H8O2/c1-7-3-2-4-8(5-10)9(7)6-11/h2-6H,1H3
InChIKey
NNKWUQPMNHINIS-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(C=O)cccc1C
Isomeric Smiles
O=Cc1c(c(ccc1)C)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9116719
LogD (pH = 7.4)
1.9116719
Log P
1.9116719
Molar Refractivity
44.2672
Polarizability
15.880649
Polar Surface Area
34.14
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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