Molecule

ID:30499

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀O₂
Molecular Mass
186.2066
Exact Mass
186.06807956
Charge
0
InChI
InChI=1S/C12H10O2/c1-14-12-5-4-10-6-9(8-13)2-3-11(10)7-12/h2-8H,1H3
InChIKey
VZBLASFLFFMMCM-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)ccc(c2)C=O
Isomeric Smiles
c12c(cc(cc2)OC)ccc(c1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5175536
LogD (pH = 7.4)
2.5175536
Log P
2.5175536
Molar Refractivity
55.5554
Polarizability
22.286333
Polar Surface Area
26.3
Rotatable Bonds
2
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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