Molecule

ID:48044

General Information
Structure
Molecular Formula
C₁₀H₂₂Cl₂N₂
Molecular Mass
241.20108
Exact Mass
240.11600407
Charge
0
InChI
InChI=1S/C10H20N2.2ClH/c1-9-3-2-6-12(8-9)10-4-5-11-7-10;;/h9-11H,2-8H2,1H3;2*1H
InChIKey
IRKBRKNJRBIBJY-UHFFFAOYSA-N
Canonic Smiles
CC1CCCN(C1)C1CNCC1.Cl.Cl
Isomeric Smiles
N1(CC(CCC1)C)C1CCNC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.8838408
LogD (pH = 7.4)
-2.0531456
Log P
0.98930687
Molar Refractivity
51.8927
Polarizability
20.7646
Polar Surface Area
15.27
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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