Molecule

ID:86170

General Information
Structure
MolImage
Molecular Formula
C₁₂H₇Cl₄NO
Molecular Mass
323.00208
Exact Mass
320.92817457
Charge
0
InChI
InChI=1S/C12H7Cl4NO/c13-8-3-5-9(6-4-8)17-7-1-2-10(17)11(18)12(14,15)16/h1-7H
InChIKey
LCYLKCKQRRDVQU-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)n1cccc1C(=O)C(Cl)(Cl)Cl
Isomeric Smiles
n1(c2ccc(cc2)Cl)c(ccc1)C(=O)C(Cl)(Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.823
LogD (pH = 7.4)
3.823
Log P
3.823
Molar Refractivity
86.4101
Polarizability
29.50681
Polar Surface Area
22.0
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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