Molecule

ID:14477

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀O
Molecular Mass
206.2393
Exact Mass
206.07316494
Charge
0
InChI
InChI=1S/C15H10O/c16-12-15-8-4-7-14(11-15)10-9-13-5-2-1-3-6-13/h1-8,11-12H
InChIKey
RRMQKWJANJYKFC-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1)C#Cc1ccccc1
Isomeric Smiles
c1(cc(ccc1)C=O)C#Cc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.8068175
LogD (pH = 7.4)
3.8068175
Log P
3.8068175
Molar Refractivity
60.4786
Polarizability
24.426239
Polar Surface Area
17.07
Rotatable Bonds
3
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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