Molecule

ID:127709

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃Cl₂N
Molecular Mass
170.08012
Exact Mass
169.04250478
Charge
0
InChI
InChI=1S/C6H13Cl2N/c1-2-9(5-3-7)6-4-8/h2-6H2,1H3
InChIKey
UQZPGHOJMQTOHB-UHFFFAOYSA-N
Canonic Smiles
ClCCN(CCCl)CC
Isomeric Smiles
CCN(CCCl)CCCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.984945
LogD (pH = 7.4)
1.8403101
Log P
1.8759571
Molar Refractivity
43.4233
Polarizability
16.97392
Polar Surface Area
3.24
Rotatable Bonds
5
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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