Molecule

ID:55932

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀O
Molecular Mass
206.2393
Exact Mass
206.07316494
Charge
0
InChI
InChI=1S/C15H10O/c16-10-13-6-3-5-12-9-8-11-4-1-2-7-14(11)15(12)13/h1-10H
InChIKey
ZCPCNJUBMFWRRB-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc2c1c1ccccc1cc2
Isomeric Smiles
c12c3c(ccc2cccc1C=O)cccc3
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6647017
LogD (pH = 7.4)
3.6647017
Log P
3.6647017
Molar Refractivity
65.5424
Polarizability
27.495644
Polar Surface Area
17.07
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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