Molecule

ID:77781

General Information
Structure
MolImage
Molecular Formula
C₇H₉Cl₂N₃
Molecular Mass
206.07246
Exact Mass
205.01735266
Charge
0
InChI
InChI=1S/C7H7N3.2ClH/c8-6-2-1-5-3-4-9-7(5)10-6;;/h1-4H,(H3,8,9,10);2*1H
InChIKey
PXZDBOQMBYQRNF-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(n1)[nH]cc2.Cl.Cl
Isomeric Smiles
n1c2c(ccc1N)cc[nH]2.Cl.Cl
Calculated Properties
JChem
Acid pKa
15.513717
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.17034584
LogD (pH = 7.4)
0.95301026
Log P
0.987329
Molar Refractivity
39.9541
Polarizability
15.113987
Polar Surface Area
54.7
Rotatable Bonds
0
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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