Molecule

ID:92397

General Information
Structure
MolImage
Molecular Formula
C₃H₄Cl₄
Molecular Mass
181.87586
Exact Mass
179.90671085
Charge
0
InChI
InChI=1S/C3H4Cl4/c4-1-3(6,7)2-5/h1-2H2
InChIKey
UDPHJTAYHSSOQB-UHFFFAOYSA-N
Canonic Smiles
ClCC(CCl)(Cl)Cl
Isomeric Smiles
ClCC(Cl)(CCl)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.0680017
LogD (pH = 7.4)
3.0680017
Log P
3.0680017
Molar Refractivity
35.1606
Polarizability
13.876863
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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