Molecule

ID:48223

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₆Cl₂N₂
Molecular Mass
257.24354
Exact Mass
256.1473042
Charge
0
InChI
InChI=1S/C11H24N2.2ClH/c1-3-8-13(9-4-2)10-11-6-5-7-12-11;;/h11-12H,3-10H2,1-2H3;2*1H
InChIKey
ZSKMZVPTZAHQJI-UHFFFAOYSA-N
Canonic Smiles
CCCN(CC1CCCN1)CCC.Cl.Cl
Isomeric Smiles
N1C(CN(CCC)CCC)CCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2354133
LogD (pH = 7.4)
-1.0875053
Log P
2.0499914
Molar Refractivity
58.4689
Polarizability
23.35114
Polar Surface Area
15.27
Rotatable Bonds
6
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
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References
Bioactivity
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