Molecule

ID:84086

General Information
Structure
MolImage
Molecular Formula
C₂₃H₁₅Cl₂NO
Molecular Mass
392.2773
Exact Mass
391.05306947
Charge
0
InChI
InChI=1S/C23H15Cl2NO/c24-17-9-5-15(6-10-17)22(27)14-13-20-19-3-1-2-4-21(19)26-23(20)16-7-11-18(25)12-8-16/h1-14,26H
InChIKey
FJAQAXXWNWGELR-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C(=O)/C=C/c1c([nH]c2c1cccc2)c1ccc(cc1)Cl
Isomeric Smiles
[nH]1c(c(c2ccccc12)/C=C/C(=O)c1ccc(cc1)Cl)c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
14.975719
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
6.7644033
LogD (pH = 7.4)
6.7644033
Log P
6.7644033
Molar Refractivity
112.5868
Polarizability
45.264046
Polar Surface Area
32.86
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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