Molecule

ID:41775

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈O₂
Molecular Mass
172.18002
Exact Mass
172.0524295
Charge
0
InChI
InChI=1S/C11H8O2/c12-7-8-1-2-10-6-11(13)4-3-9(10)5-8/h1-7,13H
InChIKey
PRYNJOJHKYNLIS-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc2c(c1)ccc(c2)O
Isomeric Smiles
c12c(cc(C=O)cc2)ccc(c1)O
Calculated Properties
JChem
Acid pKa
9.370508
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.3716013
LogD (pH = 7.4)
2.367064
Log P
2.3716595
Molar Refractivity
51.0731
Polarizability
20.363989
Polar Surface Area
37.3
Rotatable Bonds
1
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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