Molecule

ID:77863

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)11-7-3-5-9-4-1-2-6-10(9)11;/h1-8H;1H2
InChIKey
SIKHANNSJWMWME-UHFFFAOYSA-N
Canonic Smiles
O=CC(=O)c1cccc2c1cccc2.O
Isomeric Smiles
O=C(c1c2ccccc2ccc1)C=O.O
Calculated Properties
JChem
Acid pKa
14.108412
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
21.67446
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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