Molecule

ID:50971

General Information
Structure
MolImage
Molecular Formula
C₆HCl₄NO
Molecular Mass
244.89024
Exact Mass
242.88122438
Charge
0
InChI
InChI=1S/C6HCl4NO/c7-2-1-11-5(9)4(8)3(2)6(10)12/h1H
InChIKey
ODLHIOFZIWQERB-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc(c(c1Cl)C(=O)Cl)Cl
Isomeric Smiles
c1(c(c(ncc1Cl)Cl)Cl)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9787972
LogD (pH = 7.4)
2.9787972
Log P
2.9787972
Molar Refractivity
50.4915
Polarizability
19.278719
Polar Surface Area
29.96
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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