Molecule

ID:90844

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁N₃
Molecular Mass
125.17164
Exact Mass
125.09529737
Charge
0
InChI
InChI=1S/C6H11N3/c1-7-5-6-3-4-9(2)8-6/h3-4,7H,5H2,1-2H3
InChIKey
BJOZTPFIJGKTJI-UHFFFAOYSA-N
Canonic Smiles
CNCc1ccn(n1)C
Isomeric Smiles
n1c(ccn1C)CNC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.6287134
LogD (pH = 7.4)
-0.91214305
Log P
0.040926594
Molar Refractivity
47.6872
Polarizability
14.100967
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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