Molecule

ID:63127

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁Cl₂N₃
Molecular Mass
196.07764
Exact Mass
195.03300273
Charge
0
InChI
InChI=1S/C6H9N3.2ClH/c7-9-5-6-3-1-2-4-8-6;;/h1-4,9H,5,7H2;2*1H
InChIKey
ZGYDCMNBAVLMDD-UHFFFAOYSA-N
Canonic Smiles
NNCc1ccccn1.Cl.Cl
Isomeric Smiles
c1cc(CNN)ncc1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.34784862
LogD (pH = 7.4)
-0.22367583
Log P
-0.2218417
Molar Refractivity
46.8292
Polarizability
14.122503
Polar Surface Area
50.94
Rotatable Bonds
2
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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