Molecule

ID:80602

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₂O
Molecular Mass
126.1564
Exact Mass
126.07931295
Charge
0
InChI
InChI=1S/C6H10N2O/c1-5-3-6(4-9)8(2)7-5/h3,9H,4H2,1-2H3
InChIKey
GUJDKMVLHCJODO-UHFFFAOYSA-N
Canonic Smiles
Cn1nc(cc1CO)C
Isomeric Smiles
n1c(cc(n1C)CO)C
Calculated Properties
JChem
Acid pKa
14.472627
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.31564006
LogD (pH = 7.4)
-0.3148823
Log P
-0.3148726
Molar Refractivity
46.2463
Polarizability
13.127419
Polar Surface Area
38.05
Rotatable Bonds
1
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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