Molecule

ID:80328

General Information
Structure
MolImage
Molecular Formula
C₆H₂Cl₅N
Molecular Mass
265.35178
Exact Mass
262.86298747
Charge
0
InChI
InChI=1S/C6H2Cl5N/c7-4-2-1-3(5(8)12-4)6(9,10)11/h1-2H
InChIKey
XLZHJPALXIYDGU-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(n1)Cl)C(Cl)(Cl)Cl
Isomeric Smiles
n1c(c(ccc1Cl)C(Cl)(Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.9019253
LogD (pH = 7.4)
3.9019253
Log P
3.9019253
Molar Refractivity
56.1114
Polarizability
20.976492
Polar Surface Area
12.89
Rotatable Bonds
1
Lipinski's Rule of Five
true
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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