Molecule

ID:72212

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁Cl₂N₃
Molecular Mass
232.10974
Exact Mass
231.03300273
Charge
0
InChI
InChI=1S/C9H9N3.2ClH/c10-12-8-3-4-9-7(6-8)2-1-5-11-9;;/h1-6,12H,10H2;2*1H
InChIKey
WWUVKHLYLOXKLJ-UHFFFAOYSA-N
Canonic Smiles
NNc1ccc2c(c1)cccn2.Cl.Cl
Isomeric Smiles
c1cnc2c(c1)cc(cc2)NN.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.2453569
LogD (pH = 7.4)
1.5180826
Log P
1.5225431
Molar Refractivity
49.686
Polarizability
19.562153
Polar Surface Area
50.94
Rotatable Bonds
1
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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