Molecule

ID:48126

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₈Cl₂N₂
Molecular Mass
271.27012
Exact Mass
270.16295427
Charge
0
InChI
InChI=1S/C12H26N2.2ClH/c1-3-4-10-14(2)11-7-12-5-8-13-9-6-12;;/h12-13H,3-11H2,1-2H3;2*1H
InChIKey
JCUCTSWQFCTQPB-UHFFFAOYSA-N
Canonic Smiles
CCCCN(CCC1CCNCC1)C.Cl.Cl
Isomeric Smiles
N1CCC(CCN(CCCC)C)CC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.725253
LogD (pH = 7.4)
-3.571187
Log P
1.9850423
Molar Refractivity
63.5141
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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