Molecule

ID:80240

General Information
Structure
MolImage
Molecular Formula
C₅H₂Cl₄N₂
Molecular Mass
231.89478
Exact Mass
229.89720879
Charge
0
InChI
InChI=1S/C5H2Cl4N2/c6-1-3(10)2(7)5(9)11-4(1)8/h(H2,10,11)
InChIKey
CPLQYBDXWJHBST-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(Cl)c(c(c1Cl)N)Cl
Isomeric Smiles
n1c(c(c(c(c1Cl)Cl)N)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.7831805
LogD (pH = 7.4)
2.7831805
Log P
2.7831805
Molar Refractivity
49.9433
Polarizability
18.551987
Polar Surface Area
38.91
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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