Molecule

ID:69221

General Information
Structure
MolImage
Molecular Formula
C₉H₈O₂
Molecular Mass
148.15862
Exact Mass
148.0524295
Charge
0
InChI
InChI=1S/C9H8O2/c10-8-3-1-2-6-7(8)4-5-9(6)11/h1-3,10H,4-5H2
InChIKey
CKSCMRNFDBWFND-UHFFFAOYSA-N
Canonic Smiles
O=C1CCc2c1cccc2O
Isomeric Smiles
C1(=O)CCc2c(cccc12)O
Calculated Properties
JChem
Acid pKa
8.749127
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5327476
LogD (pH = 7.4)
1.5141021
Log P
1.5329907
Molar Refractivity
41.7066
Polarizability
15.776085
Polar Surface Area
37.3
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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