Molecule
ID:80251
General Information
Molecular Formula
C₈H₆O₂
Molecular Mass
134.13204
Exact Mass
134.03677943
Charge
0
InChI
InChI=1S/C8H6O2/c9-7-3-1-5-6(7)2-4-8(5)10/h1-6H
InChIKey
OHMSVTZRGLRQNM-UHFFFAOYSA-N
Canonic Smiles
O=C1C=CC2C1C=CC2=O
Isomeric Smiles
O=C1C=CC2C1C=CC2=O
Calculated Properties
JChem
Acid pKa
13.1129465
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.92687017
LogD (pH = 7.4)
0.92686933
Log P
0.92687017
Molar Refractivity
38.4222
Polarizability
13.679016
Polar Surface Area
34.14
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
No Data Available
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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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