Molecule

ID:68560

General Information
Structure
MolImage
Molecular Formula
C₅H₁₄Cl₂N₂
Molecular Mass
173.08406
Exact Mass
172.05340382
Charge
0
InChI
InChI=1S/C5H12N2.2ClH/c6-5-2-1-3-7-4-5;;/h5,7H,1-4,6H2;2*1H
InChIKey
GGPNYXIOFZLNKW-UHFFFAOYSA-N
Canonic Smiles
NC1CCCNC1.Cl.Cl
Isomeric Smiles
N1CC(CCC1)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-5.5423007
LogD (pH = 7.4)
-3.3890278
Log P
-0.5242977
Molar Refractivity
29.8544
Polarizability
12.272833
Polar Surface Area
38.05
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation