Molecule

ID:78717

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂Cl₂N₄
Molecular Mass
295.16718
Exact Mass
294.04390176
Charge
0
InChI
InChI=1S/C13H12Cl2N4/c1-8-4-5-10-9(7-8)3-2-6-19(10)13-17-11(14)16-12(15)18-13/h4-5,7H,2-3,6H2,1H3
InChIKey
KICJSLSGWIDGQU-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)CCCN2c1nc(Cl)nc(n1)Cl
Isomeric Smiles
n1c(nc(nc1Cl)Cl)N1c2ccc(cc2CCC1)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
5.013099
LogD (pH = 7.4)
5.013099
Log P
5.013099
Molar Refractivity
79.7995
Polarizability
28.917719
Polar Surface Area
41.91
Rotatable Bonds
1
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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