Molecule

ID:48194

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₈Cl₂N₂
Molecular Mass
271.27012
Exact Mass
270.16295427
Charge
0
InChI
InChI=1S/C12H26N2.2ClH/c1-3-9-14(10-4-2)11-12-7-5-6-8-13-12;;/h12-13H,3-11H2,1-2H3;2*1H
InChIKey
XACULDMTKGCEMQ-UHFFFAOYSA-N
Canonic Smiles
CCCN(CC1CCCCN1)CCC.Cl.Cl
Isomeric Smiles
N1C(CN(CCC)CCC)CCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6559519
LogD (pH = 7.4)
-0.28135115
Log P
2.49456
Molar Refractivity
63.0699
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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