Molecule

ID:74493

General Information
Structure
MolImage
Molecular Formula
C₉H₈O₂
Molecular Mass
148.15862
Exact Mass
148.0524295
Charge
0
InChI
InChI=1S/C9H8O2/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-3,6H,4-5H2
InChIKey
CLXXUGOCVBQNAI-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc2c1OCC2
Isomeric Smiles
O1CCc2c1c(ccc2)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5679654
LogD (pH = 7.4)
1.5679654
Log P
1.5679654
Molar Refractivity
42.4148
Polarizability
15.774511
Polar Surface Area
26.3
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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