Molecule

ID:69132

General Information
Structure
MolImage
Molecular Formula
C₆H₁₆Cl₂N₂
Molecular Mass
187.11064
Exact Mass
186.06905388
Charge
0
InChI
InChI=1S/C6H14N2.2ClH/c1-7-6-3-2-4-8-5-6;;/h6-8H,2-5H2,1H3;2*1H
InChIKey
VEXIRMPBAHTVNL-UHFFFAOYSA-N
Canonic Smiles
CNC1CCCNC1.Cl.Cl
Isomeric Smiles
N1CC(CCC1)NC.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-4.7803946
LogD (pH = 7.4)
-2.6710944
Log P
-0.09171735
Molar Refractivity
34.629
Polarizability
14.118806
Polar Surface Area
24.06
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
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References
Bioactivity
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