Molecule

ID:78061

General Information
Structure
MolImage
Molecular Formula
C₃H₂Cl₄
Molecular Mass
179.85998
Exact Mass
177.89106078
Charge
0
InChI
InChI=1S/C3H2Cl4/c4-2(5)1-3(6)7/h1-2H
InChIKey
XPIGFCKQOOBTLK-UHFFFAOYSA-N
Canonic Smiles
ClC(C=C(Cl)Cl)Cl
Isomeric Smiles
ClC(=CC(Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.9902933
LogD (pH = 7.4)
2.9902933
Log P
2.9902933
Molar Refractivity
45.9287
Polarizability
13.652329
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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