Molecule

ID:24725

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁N₃
Molecular Mass
125.17164
Exact Mass
125.09529737
Charge
0
InChI
InChI=1S/C6H11N3/c1-5-6(3-7)4-8-9(5)2/h4H,3,7H2,1-2H3
InChIKey
YMMVIBHFGRZKPK-UHFFFAOYSA-N
Canonic Smiles
NCc1cnn(c1C)C
Isomeric Smiles
n1n(c(c(c1)CN)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.2045403
LogD (pH = 7.4)
-1.9707637
Log P
-0.27356437
Molar Refractivity
48.5845
Polarizability
14.0212
Polar Surface Area
43.84
Rotatable Bonds
1
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
No Data Available
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Molecule Details
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References
Bioactivity
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