Molecule

ID:66995

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇ClN₂
Molecular Mass
236.74048
Exact Mass
236.10802623
Charge
0
InChI
InChI=1S/C13H16N2.ClH/c14-10-13-3-1-11(2-4-13)9-12-5-7-15-8-6-12;/h1-4,12,15H,5-9H2;1H
InChIKey
FRVVADSLOPUQJI-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1)CC1CCNCC1.Cl
Isomeric Smiles
N1CCC(CC1)Cc1ccc(cc1)C#N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.8525907
LogD (pH = 7.4)
-0.39568081
Log P
2.3789756
Molar Refractivity
61.8016
Polarizability
23.95427
Polar Surface Area
35.82
Rotatable Bonds
2
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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