Molecule

ID:48048

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₂Cl₂N₂
Molecular Mass
241.20108
Exact Mass
240.11600407
Charge
0
InChI
InChI=1S/C10H20N2.2ClH/c1-2-4-8-12(7-3-1)10-5-6-11-9-10;;/h10-11H,1-9H2;2*1H
InChIKey
MKGWDHPXESPFIL-UHFFFAOYSA-N
Canonic Smiles
C1CCCN(CC1)C1CNCC1.Cl.Cl
Isomeric Smiles
N1(C2CCNC2)CCCCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.9323087
LogD (pH = 7.4)
-1.9911991
Log P
1.0689027
Molar Refractivity
52.0221
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
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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