Molecule

ID:53066

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁Cl₂N₃
Molecular Mass
184.06694
Exact Mass
183.03300273
Charge
0
InChI
InChI=1S/C5H9N3.2ClH/c1-4-5(6)3-8(2)7-4;;/h3H,6H2,1-2H3;2*1H
InChIKey
DWNGGFJVARNXSR-UHFFFAOYSA-N
Canonic Smiles
Cn1cc(c(n1)C)N.Cl.Cl
Isomeric Smiles
n1(nc(c(c1)N)C)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.29691106
LogD (pH = 7.4)
-0.2964557
Log P
-0.2964499
Molar Refractivity
44.2533
Polarizability
11.799934
Polar Surface Area
43.84
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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