Molecule

ID:26817

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₃Cl₂N₃
Molecular Mass
270.15772
Exact Mass
269.04865279
Charge
0
InChI
InChI=1S/C12H13Cl2N3/c1-7-12(15)8(2)17(16-7)6-9-10(13)4-3-5-11(9)14/h3-5H,6,15H2,1-2H3
InChIKey
NCYUFLGJDOLIIV-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1Cn1nc(c(c1C)N)C)Cl
Isomeric Smiles
n1(nc(c(c1C)N)C)Cc1c(Cl)cccc1Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.8347592
LogD (pH = 7.4)
2.8356624
Log P
2.8356738
Molar Refractivity
83.6252
Polarizability
26.920647
Polar Surface Area
43.84
Rotatable Bonds
2
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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