Molecule

ID:53285

General Information
Structure
Molecular Formula
C₆H₃Cl₂N₃
Molecular Mass
188.01412
Exact Mass
186.97040247
Charge
0
InChI
InChI=1S/C6H3Cl2N3/c7-4-3-1-2-9-5(3)11-6(8)10-4/h1-2H,(H,9,10,11)
InChIKey
GHXBPCSSQOKKGB-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(Cl)c2c(n1)[nH]cc2
Isomeric Smiles
c1(nc2c(c(n1)Cl)cc[nH]2)Cl
Calculated Properties
JChem
Acid pKa
13.023709
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.2487314
LogD (pH = 7.4)
2.2487307
Log P
2.2487316
Molar Refractivity
45.1261
Polarizability
17.09778
Polar Surface Area
41.57
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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