Molecule

ID:47939

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₈Cl₂N₂
Molecular Mass
271.27012
Exact Mass
270.16295427
Charge
0
InChI
InChI=1S/C12H26N2.2ClH/c1-3-8-14(9-4-2)11-12-6-5-7-13-10-12;;/h12-13H,3-11H2,1-2H3;2*1H
InChIKey
ILDLZJXFZJQMIJ-UHFFFAOYSA-N
Canonic Smiles
CCCN(CC1CCCNC1)CCC.Cl.Cl
Isomeric Smiles
N1CC(CN(CCC)CCC)CCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.1698413
LogD (pH = 7.4)
-2.2925813
Log P
2.0947459
Molar Refractivity
63.4089
Polarizability
25.197851
Polar Surface Area
15.27
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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