Molecule
ID:57596
General Information
Molecular Formula
C₆H₁₀N₂O
Molecular Mass
126.1564
Exact Mass
126.07931295
Charge
0
InChI
InChI=1S/C6H10N2O/c1-5-6(4-9)3-8(2)7-5/h3,9H,4H2,1-2H3
InChIKey
LGRRIEHAGOJLFA-UHFFFAOYSA-N
Canonic Smiles
OCc1cn(nc1C)C
Isomeric Smiles
n1(cc(c(n1)C)CO)C
Calculated Properties
JChem
Acid pKa
14.601005
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.2354728
LogD (pH = 7.4)
-0.2348813
Log P
-0.23487373
Molar Refractivity
46.3688
Polarizability
13.1265745
Polar Surface Area
38.05
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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