Molecule

ID:109906

General Information
Structure
MolImage
Molecular Formula
C₃H₆Cl₂
Molecular Mass
112.98574
Exact Mass
111.98465555
Charge
0
InChI
InChI=1S/C3H6Cl2/c1-3(2,4)5/h1-2H3
InChIKey
ZEOVXNVKXIPWMS-UHFFFAOYSA-N
Canonic Smiles
CC(Cl)(Cl)C
Isomeric Smiles
CC(C)(Cl)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.7665335
LogD (pH = 7.4)
1.7665335
Log P
1.7665335
Molar Refractivity
26.3024
Polarizability
9.988709
Polar Surface Area
0.0
Rotatable Bonds
0
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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