Molecule

ID:33376

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁N₃
Molecular Mass
125.17164
Exact Mass
125.09529737
Charge
0
InChI
InChI=1S/C6H11N3/c1-7-3-6-4-8-9(2)5-6/h4-5,7H,3H2,1-2H3
InChIKey
LEHGOSZFUSOULZ-UHFFFAOYSA-N
Canonic Smiles
CNCc1cnn(c1)C
Isomeric Smiles
n1n(cc(c1)CNC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.1166985
LogD (pH = 7.4)
-1.7121129
Log P
-0.040545296
Molar Refractivity
48.2094
Polarizability
14.100066
Polar Surface Area
29.85
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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