Molecule

ID:14707

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃ClN₂
Molecular Mass
232.70872
Exact Mass
232.07672611
Charge
0
InChI
InChI=1S/C13H13ClN2/c14-13-7-2-1-5-11(13)9-15-10-12-6-3-4-8-16-12/h1-8,15H,9-10H2
InChIKey
PNKPOYFGEPYCBE-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1CNCc1ccccn1
Isomeric Smiles
c1(c(cccc1)Cl)CNCc1ccccn1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0109808
LogD (pH = 7.4)
2.5046365
Log P
2.723912
Molar Refractivity
66.0443
Polarizability
26.098385
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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