Molecule

ID:54630

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁N₃O
Molecular Mass
153.18174
Exact Mass
153.09021199
Charge
0
InChI
InChI=1S/C7H11N3O/c1-4-5(2)9-7(8-4)10-6(3)11/h1-3H3,(H2,8,9,10,11)
InChIKey
GEUWWFIMNCOZCY-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1[nH]c(c(n1)C)C
Isomeric Smiles
c1(nc(c([nH]1)C)C)NC(=O)C
Calculated Properties
JChem
Acid pKa
10.25104
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.094615325
LogD (pH = 7.4)
0.10689105
Log P
0.107667655
Molar Refractivity
43.0903
Polarizability
15.582293
Polar Surface Area
57.78
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
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References
Bioactivity
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