Molecule

ID:77177

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁ClO
Molecular Mass
242.70024
Exact Mass
242.04984265
Charge
0
InChI
InChI=1S/C15H11ClO/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11H
InChIKey
ABGIIXRNMHUKII-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)/C=C/C(=O)c1ccccc1
Isomeric Smiles
Clc1ccc(cc1)/C=C/C(=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
16.854052
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.49437
LogD (pH = 7.4)
4.49437
Log P
4.49437
Molar Refractivity
71.6818
Polarizability
27.200165
Polar Surface Area
17.07
Rotatable Bonds
3
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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