Molecule

ID:77782

General Information
Structure
MolImage
Molecular Formula
C₇H₉Cl₂N₃
Molecular Mass
206.07246
Exact Mass
205.01735266
Charge
0
InChI
InChI=1S/C7H7N3.2ClH/c8-6-4-10-7-5(6)2-1-3-9-7;;/h1-4H,8H2,(H,9,10);2*1H
InChIKey
SJUROPXPIWYNFJ-UHFFFAOYSA-N
Canonic Smiles
Nc1c[nH]c2c1cccn2.Cl.Cl
Isomeric Smiles
n1c2c(ccc1)c(c[nH]2)N.Cl.Cl
Calculated Properties
JChem
Acid pKa
18.393103
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.3920858
LogD (pH = 7.4)
0.39286157
Log P
0.39287147
Molar Refractivity
39.6406
Polarizability
15.117541
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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