Molecule

ID:59135

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁N₃
Molecular Mass
125.17164
Exact Mass
125.09529737
Charge
0
InChI
InChI=1S/C6H11N3/c1-6-4-8-9(5-6)3-2-7/h4-5H,2-3,7H2,1H3
InChIKey
NCMDCWBSYIDNHM-UHFFFAOYSA-N
Canonic Smiles
Cc1cn(nc1)CCN
Isomeric Smiles
n1cc(cn1CCN)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.8826897
LogD (pH = 7.4)
-2.056365
Log P
0.11754345
Molar Refractivity
47.9524
Polarizability
14.026271
Polar Surface Area
43.84
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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