Molecule

ID:66231

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀O₃
Molecular Mass
202.206
Exact Mass
202.06299418
Charge
0
InChI
InChI=1S/C12H8O2.H2O/c13-8-12(14)11-6-5-9-3-1-2-4-10(9)7-11;/h1-8H;1H2
InChIKey
VDEXQTPNFMMGEQ-UHFFFAOYSA-N
Canonic Smiles
O=CC(=O)c1ccc2c(c1)cccc2.O
Isomeric Smiles
C(=O)(C=O)c1cc2c(cc1)cccc2.O
Calculated Properties
JChem
Acid pKa
14.244611
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6100407
LogD (pH = 7.4)
2.6100407
Log P
2.6100407
Molar Refractivity
53.7673
Polarizability
21.671806
Polar Surface Area
34.14
Rotatable Bonds
2
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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