Molecule

ID:84295

General Information
Structure
MolImage
Molecular Formula
C₅H₅Cl₂N₃
Molecular Mass
178.0193
Exact Mass
176.98605254
Charge
0
InChI
InChI=1S/C5H5Cl2N3/c6-3-1-9-2-4(7)5(3)10-8/h1-2H,8H2,(H,9,10)
InChIKey
IKQCIXCXRNHCFB-UHFFFAOYSA-N
Canonic Smiles
NNc1c(Cl)cncc1Cl
Isomeric Smiles
n1cc(c(c(c1)Cl)NN)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.296974
LogD (pH = 7.4)
1.3545268
Log P
1.3553053
Molar Refractivity
43.2174
Polarizability
15.87273
Polar Surface Area
50.94
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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