Molecule

ID:125104

General Information
Structure
MolImage
Molecular Formula
C₃H₆Cl₂
Molecular Mass
112.98574
Exact Mass
111.98465555
Charge
0
InChI
InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3
InChIKey
KNKRKFALVUDBJE-UHFFFAOYSA-N
Canonic Smiles
ClCC(Cl)C
Isomeric Smiles
ClCC(Cl)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.9170797
LogD (pH = 7.4)
1.9170797
Log P
1.9170797
Molar Refractivity
25.0744
Polarizability
9.977678
Polar Surface Area
0.0
Rotatable Bonds
1
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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