Molecule

ID:123951

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₁ClN₂
Molecular Mass
240.77224
Exact Mass
240.13932636
Charge
0
InChI
InChI=1S/C13H20N2.ClH/c1-2-5-12(6-3-1)9-15-11-13-7-4-8-14-10-13;/h4,7-8,10,12,15H,1-3,5-6,9,11H2;1H
InChIKey
QJEZLYKEQNXNGK-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CC1)CNCc1cccnc1.Cl
Isomeric Smiles
n1cc(CNCC2CCCCC2)ccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.76885813
LogD (pH = 7.4)
0.1857773
Log P
2.4282055
Molar Refractivity
62.8941
Polarizability
24.988935
Polar Surface Area
24.92
Rotatable Bonds
4
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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