Molecule

ID:48152

General Information
Structure
Molecular Formula
C₁₀H₂₂Cl₂N₂
Molecular Mass
241.20108
Exact Mass
240.11600407
Charge
0
InChI
InChI=1S/C10H20N2.2ClH/c1-2-6-12(7-3-1)9-10-4-5-11-8-10;;/h10-11H,1-9H2;2*1H
InChIKey
ZUQXRGQDEBXQBP-UHFFFAOYSA-N
Canonic Smiles
C1CCN(CC1)CC1CNCC1.Cl.Cl
Isomeric Smiles
N1(CC2CNCC2)CCCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-5.4934797
LogD (pH = 7.4)
-3.7061722
Log P
0.7418826
Molar Refractivity
52.4047
Polarizability
20.7646
Polar Surface Area
15.27
Rotatable Bonds
2
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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