Molecule

ID:34619

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁N₃O
Molecular Mass
141.17104
Exact Mass
141.09021199
Charge
0
InChI
InChI=1S/C6H11N3O/c1-6(2,3)4-8-9-5(7)10-4/h1-3H3,(H2,7,9)
InChIKey
WONCYNYJYMAVNA-UHFFFAOYSA-N
Canonic Smiles
CC(c1nnc(o1)N)(C)C
Isomeric Smiles
n1c(oc(n1)N)C(C)(C)C
Calculated Properties
JChem
Acid pKa
12.840374
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.7326105
LogD (pH = 7.4)
0.7326093
Log P
0.73261076
Molar Refractivity
39.3004
Polarizability
13.912221
Polar Surface Area
64.94
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
References
Bioactivity
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