Molecule
ID:122975
General Information
Molecular Formula
C₁₂H₁₀Cl₂N₄
Molecular Mass
281.1406
Exact Mass
280.0282517
Charge
0
InChI
InChI=1S/C12H10Cl2N4/c1-17-9-5-3-2-4-8(9)16-10(17)6-18-7-15-11(13)12(18)14/h2-5,7H,6H2,1H3
InChIKey
LJLNQCQLVWSNHV-UHFFFAOYSA-N
Canonic Smiles
Clc1ncn(c1Cl)Cc1nc2c(n1C)cccc2
Isomeric Smiles
c1(nc2c(n1C)cccc2)Cn1c(c(nc1)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2357776
LogD (pH = 7.4)
2.5238726
Log P
2.5293028
Molar Refractivity
72.3283
Polarizability
28.454042
Polar Surface Area
35.64
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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