Molecule

ID:36954

General Information
Structure
MolImage
Molecular Formula
C₇H₉Cl₂N₃
Molecular Mass
206.07246
Exact Mass
205.01735266
Charge
0
InChI
InChI=1S/C7H7N3.2ClH/c8-6-3-1-2-5-4-9-10-7(5)6;;/h1-4H,8H2,(H,9,10);2*1H
InChIKey
FEIGHUJDZDHFRB-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc2c1[nH]nc2.Cl.Cl
Isomeric Smiles
c1cc(c2c(c1)cn[nH]2)N.Cl.Cl
Calculated Properties
JChem
Acid pKa
13.689824
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.43093815
LogD (pH = 7.4)
0.46690306
Log P
0.46738175
Molar Refractivity
40.7735
Polarizability
15.800579
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
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Molecule Details
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References
Bioactivity
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