Molecule

ID:18266

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃ClN₂
Molecular Mass
232.70872
Exact Mass
232.07672611
Charge
0
InChI
InChI=1S/C13H13ClN2/c14-13-4-2-1-3-12(13)10-16-9-11-5-7-15-8-6-11/h1-8,16H,9-10H2
InChIKey
SGDXBICEGHWCLB-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1CNCc1ccncc1
Isomeric Smiles
c1(c(Cl)cccc1)CNCc1ccncc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.15329413
LogD (pH = 7.4)
1.8885685
Log P
2.64244
Molar Refractivity
66.5665
Polarizability
26.097277
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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