Molecule

ID:48063

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₄Cl₂N₂
Molecular Mass
255.22766
Exact Mass
254.13165414
Charge
0
InChI
InChI=1S/C11H22N2.2ClH/c1-2-7-12-11(5-1)6-10-13-8-3-4-9-13;;/h11-12H,1-10H2;2*1H
InChIKey
HLEDYMSHURQBJU-UHFFFAOYSA-N
Canonic Smiles
C1CCC(NC1)CCN1CCCC1.Cl.Cl
Isomeric Smiles
N1(CCC2NCCCC2)CCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.8393164
LogD (pH = 7.4)
-2.7631905
Log P
1.2016565
Molar Refractivity
56.9311
Polarizability
22.610828
Polar Surface Area
15.27
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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