Molecule

ID:33058

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)4-9(2)8-5/h4H,3,7H2,1-2H3
InChIKey
VERSVOWJFSHXSI-UHFFFAOYSA-N
Canonic Smiles
NCc1cn(nc1C)C
Isomeric Smiles
c1(c(nn(c1)C)C)CN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.2654457
LogD (pH = 7.4)
-2.0070076
Log P
-0.3417555
Molar Refractivity
48.0263
Polarizability
14.019746
Polar Surface Area
43.84
Rotatable Bonds
1
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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