Molecule

ID:70109

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀O
Molecular Mass
170.2072
Exact Mass
170.07316494
Charge
0
InChI
InChI=1S/C12H10O/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-8H,1H3
InChIKey
QQLIGMASAVJVON-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1cccc2c1cccc2
Isomeric Smiles
C(=O)(C)c1cccc2ccccc12
Calculated Properties
JChem
Acid pKa
15.8861885
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.52037
LogD (pH = 7.4)
2.52037
Log P
2.52037
Molar Refractivity
52.911
Polarizability
21.6822
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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