Molecule

ID:76892

General Information
Structure
MolImage
Molecular Formula
C₉H₈O₂
Molecular Mass
148.15862
Exact Mass
148.0524295
Charge
0
InChI
InChI=1S/C9H8O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-6H,1H2,(H,10,11)
InChIKey
ONPJWQSDZCGSQM-UHFFFAOYSA-N
Canonic Smiles
C=C(c1ccccc1)C(=O)O
Isomeric Smiles
OC(=O)C(=C)c1ccccc1
Calculated Properties
JChem
Acid pKa
4.43183
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0987446
LogD (pH = 7.4)
-0.6622278
Log P
2.201035
Molar Refractivity
41.7435
Polarizability
16.183477
Polar Surface Area
37.3
Rotatable Bonds
2
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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