Molecule

ID:82058

General Information
Structure
MolImage
Molecular Formula
C₅H₅Cl₂N₃
Molecular Mass
178.0193
Exact Mass
176.98605254
Charge
0
InChI
InChI=1S/C5H5Cl2N3/c1-2-9-4(6)3(8)5(7)10-2/h8H2,1H3
InChIKey
FKRXXAMAHOGYNT-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(Cl)c(c(n1)Cl)N
Isomeric Smiles
n1c(nc(c(c1Cl)N)Cl)C
Calculated Properties
JChem
Acid pKa
19.788939
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.4891851
LogD (pH = 7.4)
1.4891856
Log P
1.4891856
Molar Refractivity
43.7793
Polarizability
15.463556
Polar Surface Area
51.8
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
No Data Available
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Molecule Details
References
Bioactivity
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