Molecule

ID:51237

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇ClN₂
Molecular Mass
236.74048
Exact Mass
236.10802623
Charge
0
InChI
InChI=1S/C13H16N2.ClH/c1-2-4-13-11(3-1)7-10-15(13)12-5-8-14-9-6-12;/h1-4,7,10,12,14H,5-6,8-9H2;1H
InChIKey
KWSFLXYGYZPFOL-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)n1ccc2c1cccc2.Cl
Isomeric Smiles
n1(ccc2c1cccc2)C1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.2850691
LogD (pH = 7.4)
-0.6729606
Log P
1.939442
Molar Refractivity
62.1976
Polarizability
25.560064
Polar Surface Area
16.96
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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