Molecule

ID:36956

General Information
Structure
MolImage
Molecular Formula
C₇H₉Cl₂N₃
Molecular Mass
206.07246
Exact Mass
205.01735266
Charge
0
InChI
InChI=1S/C7H7N3.2ClH/c8-5-2-1-3-6-7(5)10-4-9-6;;/h1-4H,8H2,(H,9,10);2*1H
InChIKey
ZEZRFTXFWVHVEL-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc2c1[nH]cn2.Cl.Cl
Isomeric Smiles
c1cc(c2c(c1)nc[nH]2)N.Cl.Cl
Calculated Properties
JChem
Acid pKa
13.086098
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.49190208
LogD (pH = 7.4)
0.07744177
Log P
0.43057805
Molar Refractivity
39.6689
Polarizability
15.80632
Polar Surface Area
54.7
Rotatable Bonds
0
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
No Data Available
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Molecule Details
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References
Bioactivity
Navigation
1H-1,3-benzodiazol-7-amine dihydrochloride|1H-Benzimidazol-7-amine dihydrochloride|3H-1,3-benzodiazol-4-amine dihydrochloride|1H-1,3-benzodiazol-7-amine dihydrochloride | Molfinder