Molecule

ID:73330

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁Cl₂N₃
Molecular Mass
232.10974
Exact Mass
231.03300273
Charge
0
InChI
InChI=1S/C9H9N3.2ClH/c10-12-8-5-1-3-7-4-2-6-11-9(7)8;;/h1-6,12H,10H2;2*1H
InChIKey
MZVBHTUMFBIRJZ-UHFFFAOYSA-N
Canonic Smiles
NNc1cccc2c1nccc2.Cl.Cl
Isomeric Smiles
n1cccc2c1c(ccc2)NN.Cl.Cl
Calculated Properties
JChem
Acid pKa
17.272697
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.305219
LogD (pH = 7.4)
1.5189372
Log P
1.5225431
Molar Refractivity
49.686
Polarizability
19.56709
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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