Molecule

ID:58484

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀O
Molecular Mass
170.2072
Exact Mass
170.07316494
Charge
0
InChI
InChI=1S/C12H10O/c13-11-7-9-5-1-3-8-4-2-6-10(11)12(8)9/h1-6,11,13H,7H2
InChIKey
MXUCIEHYJYRTLT-UHFFFAOYSA-N
Canonic Smiles
OC1Cc2c3c1cccc3ccc2
Isomeric Smiles
c1ccc2c3c1CC(c3ccc2)O
Calculated Properties
JChem
Acid pKa
14.42335
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.2950284
LogD (pH = 7.4)
2.2950284
Log P
2.2950284
Molar Refractivity
52.3039
Polarizability
21.411972
Polar Surface Area
20.23
Rotatable Bonds
0
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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