Molecule

ID:48009

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₂Cl₂N₂
Molecular Mass
241.20108
Exact Mass
240.11600407
Charge
0
InChI
InChI=1S/C10H20N2.2ClH/c1-2-8-12(9-3-1)10-4-6-11-7-5-10;;/h10-11H,1-9H2;2*1H
InChIKey
BBQDEKNMSAXDAK-UHFFFAOYSA-N
Canonic Smiles
C1CCN(CC1)C1CCNCC1.Cl.Cl
Isomeric Smiles
N1(C2CCNCC2)CCCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-5.2011404
LogD (pH = 7.4)
-3.1269143
Log P
0.6842938
Molar Refractivity
52.2865
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
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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