Molecule

ID:61870

General Information
Structure
MolImage
Molecular Formula
C₅H₄Cl₃N₃
Molecular Mass
212.46436
Exact Mass
210.94708018
Charge
0
InChI
InChI=1S/C5H4Cl3N3/c6-1-2-3(7)10-5(9)11-4(2)8/h1H2,(H2,9,10,11)
InChIKey
PJKQTWFNYVYTAZ-UHFFFAOYSA-N
Canonic Smiles
ClCc1c(Cl)nc(nc1Cl)N
Isomeric Smiles
n1c(nc(c(c1Cl)CCl)Cl)N
Calculated Properties
JChem
Acid pKa
15.72881
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.1352763
LogD (pH = 7.4)
2.1352813
Log P
2.1352813
Molar Refractivity
48.9678
Polarizability
17.46098
Polar Surface Area
51.8
Rotatable Bonds
1
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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