Molecule

ID:58284

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁N₃
Molecular Mass
125.17164
Exact Mass
125.09529737
Charge
0
InChI
InChI=1S/C6H11N3/c1-6(2,3)5-7-4-8-9-5/h4H,1-3H3,(H,7,8,9)
InChIKey
OKQVUMMFRMUJMX-UHFFFAOYSA-N
Canonic Smiles
CC(c1n[nH]cn1)(C)C
Isomeric Smiles
c1(nc[nH]n1)C(C)(C)C
Calculated Properties
JChem
Acid pKa
11.938689
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.8159701
LogD (pH = 7.4)
0.8167222
Log P
0.8169253
Molar Refractivity
37.3721
Polarizability
13.552026
Polar Surface Area
41.57
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
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Molecule Details
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References
Bioactivity
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