Molecule

ID:14208

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂ClN₃
Molecular Mass
161.63258
Exact Mass
161.07197508
Charge
0
InChI
InChI=1S/C6H11N3.ClH/c1-4-6(7)5(2)9(3)8-4;/h7H2,1-3H3;1H
InChIKey
XGLDZIPBMAPGNV-UHFFFAOYSA-N
Canonic Smiles
Cc1nn(c(c1N)C)C.Cl
Isomeric Smiles
c1(c(n(nc1C)C)C)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.09796831
LogD (pH = 7.4)
-0.0969022
Log P
-0.09688859
Molar Refractivity
49.403
Polarizability
13.559346
Polar Surface Area
43.84
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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