Molecule

ID:34518

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₂O₂
Molecular Mass
142.1558
Exact Mass
142.07422757
Charge
0
InChI
InChI=1S/C6H10N2O2/c1-4(2)6-7-5(3-9)10-8-6/h4,9H,3H2,1-2H3
InChIKey
PQDUJWGQTSTVOA-UHFFFAOYSA-N
Canonic Smiles
OCc1onc(n1)C(C)C
Isomeric Smiles
o1nc(nc1CO)C(C)C
Calculated Properties
JChem
Acid pKa
12.849156
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.8968221
LogD (pH = 7.4)
0.8968206
Log P
0.89682215
Molar Refractivity
36.6428
Polarizability
13.42532
Polar Surface Area
59.15
Rotatable Bonds
2
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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