Molecule

ID:118521

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀O
Molecular Mass
206.2393
Exact Mass
206.07316494
Charge
0
InChI
InChI=1S/C15H10O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10H
InChIKey
YECVQOULKHBGEN-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)C#Cc1ccccc1
Isomeric Smiles
C(#Cc1ccccc1)C(=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.9064429
LogD (pH = 7.4)
3.9064429
Log P
3.9064429
Molar Refractivity
62.2654
Polarizability
24.433321
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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