Molecule

ID:74403

General Information
Structure
Molecular Formula
C₆H₁₃Cl₂N
Molecular Mass
170.08012
Exact Mass
169.04250478
Charge
0
InChI
InChI=1S/C6H12ClN.ClH/c7-3-6-8-4-1-2-5-8;/h1-6H2;1H
InChIKey
FSNGFFWICFYWQC-UHFFFAOYSA-N
Canonic Smiles
ClCCN1CCCC1.Cl
Isomeric Smiles
N1(CCCC1)CCCl.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-1.6670777
LogD (pH = 7.4)
0.07171987
Log P
1.2604568
Molar Refractivity
36.8724
Polarizability
14.396621
Polar Surface Area
3.24
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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