Molecule

ID:53207

General Information
Structure
MolImage
Molecular Formula
C₉H₈O₂
Molecular Mass
148.15862
Exact Mass
148.0524295
Charge
0
InChI
InChI=1S/C9H8O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4H,5-6H2
InChIKey
MSTDXOZUKAQDRL-UHFFFAOYSA-N
Canonic Smiles
O=C1CCOc2c1cccc2
Isomeric Smiles
c1ccc2c(c1)C(=O)CCO2
Calculated Properties
JChem
Acid pKa
14.413349
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3115638
LogD (pH = 7.4)
1.3115637
Log P
1.3115638
Molar Refractivity
41.0643
Polarizability
15.8513155
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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