Molecule

ID:13177

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃ClN₂
Molecular Mass
232.70872
Exact Mass
232.07672611
Charge
0
InChI
InChI=1S/C13H13ClN2/c14-13-6-2-1-5-12(13)10-16-9-11-4-3-7-15-8-11/h1-8,16H,9-10H2
InChIKey
COZWJDQWGHMDEV-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1CNCc1cccnc1
Isomeric Smiles
c1ccc(c(c1)CNCc1cccnc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.22453855
LogD (pH = 7.4)
1.9581244
Log P
2.64244
Molar Refractivity
66.5665
Polarizability
26.097534
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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