Molecule

ID:48091

General Information
Structure
MolImage
Molecular Formula
C₉H₂₂Cl₂N₂
Molecular Mass
229.19038
Exact Mass
228.11600407
Charge
0
InChI
InChI=1S/C9H20N2.2ClH/c1-11(2)7-5-9-4-3-6-10-8-9;;/h9-10H,3-8H2,1-2H3;2*1H
InChIKey
ZXULICJZKAKIGT-UHFFFAOYSA-N
Canonic Smiles
CN(CCC1CCCNC1)C.Cl.Cl
Isomeric Smiles
N1CC(CCN(C)C)CCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-5.9230747
LogD (pH = 7.4)
-4.4289093
Log P
0.73909706
Molar Refractivity
49.5635
Polarizability
19.657892
Polar Surface Area
15.27
Rotatable Bonds
3
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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