Molecule
ID:64776
General Information
Molecular Formula
C₉H₈O₂
Molecular Mass
148.15862
Exact Mass
148.0524295
Charge
0
InChI
InChI=1S/C9H8O2/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2
InChIKey
OYXTZAZUFUWSIR-UHFFFAOYSA-N
Canonic Smiles
O=C1COCc2c1cccc2
Isomeric Smiles
c1ccc2c(c1)COCC2=O
Calculated Properties
JChem
Acid pKa
17.1926
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1079991
LogD (pH = 7.4)
1.1079991
Log P
1.1079991
Molar Refractivity
41.4688
Polarizability
15.8583765
Polar Surface Area
26.3
Rotatable Bonds
0
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
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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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