Molecule

ID:14811

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃ClN₂
Molecular Mass
232.70872
Exact Mass
232.07672611
Charge
0
InChI
InChI=1S/C13H13ClN2/c14-13-5-3-11(4-6-13)8-16-10-12-2-1-7-15-9-12/h1-7,9,16H,8,10H2
InChIKey
FAAFCUORVZBCEF-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)CNCc1cccnc1
Isomeric Smiles
c1(ccc(cc1)Cl)CNCc1cccnc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.1946417
LogD (pH = 7.4)
1.4650424
Log P
2.64244
Molar Refractivity
66.5665
Polarizability
26.092878
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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