Molecule

ID:55190

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClN
Molecular Mass
225.7576
Exact Mass
225.12842733
Charge
0
InChI
InChI=1S/C13H19N.ClH/c1-11-6-8-12(9-7-11)10-14-13-4-2-3-5-13;/h6-9,13-14H,2-5,10H2,1H3;1H
InChIKey
HPLVXXMDIYPLEQ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)CNC1CCCC1.Cl
Isomeric Smiles
c1cc(ccc1C)CNC1CCCC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.1767504
LogD (pH = 7.4)
0.8162236
Log P
3.3997178
Molar Refractivity
60.7604
Polarizability
24.003328
Polar Surface Area
12.03
Rotatable Bonds
3
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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