Molecule

ID:59136

General Information
Structure
Molecular Formula
C₇H₁₁N₃O
Molecular Mass
153.18174
Exact Mass
153.09021199
Charge
0
InChI
InChI=1S/C7H11N3O/c1-5-3-9-10(4-5)6(2)7(8)11/h3-4,6H,1-2H3,(H2,8,11)
InChIKey
OBQVWMOUOSWTDN-UHFFFAOYSA-N
Canonic Smiles
CC(n1cc(cn1)C)C(=O)N
Isomeric Smiles
n1cc(cn1C(C(=O)N)C)C
Calculated Properties
JChem
Acid pKa
15.671626
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.15423593
LogD (pH = 7.4)
0.15433098
Log P
0.1543322
Molar Refractivity
52.4033
Polarizability
15.654925
Polar Surface Area
60.91
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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