Molecule

ID:124831

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂ClN₃
Molecular Mass
233.69678
Exact Mass
233.07197508
Charge
0
InChI
InChI=1S/C12H12ClN3/c1-16(9-10-5-3-2-4-6-10)11-7-8-14-12(13)15-11/h2-8H,9H2,1H3
InChIKey
NTDMPTKAKGKWAZ-UHFFFAOYSA-N
Canonic Smiles
Clc1nccc(n1)N(Cc1ccccc1)C
Isomeric Smiles
n1c(N(Cc2ccccc2)C)ccnc1Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.3847792
LogD (pH = 7.4)
3.3852541
Log P
3.3852603
Molar Refractivity
67.5756
Polarizability
24.943104
Polar Surface Area
29.02
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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