Molecule

ID:136113

General Information
Structure
MolImage
Molecular Formula
C₃H₂Cl₆
Molecular Mass
253.74394451
Exact Mass
250.83883066
Charge
0
InChI
InChI=1S/C3H2Cl6/c4-2(5,6)1-3(7,8)9/h1H2/i1+1,2+1,3+1
InChIKey
BBEAZDGZMVABIC-VMIGTVKRSA-N
Canonic Smiles
Cl[13C]([13CH2][13C](Cl)(Cl)Cl)(Cl)Cl
Isomeric Smiles
[13CH2]([13C](Cl)(Cl)Cl)[13C](Cl)(Cl)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.4205449
LogD (pH = 7.4)
3.4205449
Log P
3.4205449
Molar Refractivity
46.3298
Polarizability
17.851593
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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