Molecule

ID:78902

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅Cl₂N₅
Molecular Mass
266.0862
Exact Mass
264.99220055
Charge
0
InChI
InChI=1S/C10H5Cl2N5/c11-8-15-9(12)17-10(16-8)14-7-3-1-2-6(4-7)5-13/h1-4H,(H,14,15,16,17)
InChIKey
AUFWCRWUKLWVCY-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cccc(c1)Nc1nc(Cl)nc(n1)Cl
Isomeric Smiles
n1c(nc(nc1Cl)Cl)Nc1cccc(c1)C#N
Calculated Properties
JChem
Acid pKa
11.487189
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
3.6476402
LogD (pH = 7.4)
3.6476061
Log P
3.6476407
Molar Refractivity
67.6726
Polarizability
24.32431
Polar Surface Area
74.49
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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