Molecule

ID:63756

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₂O
Molecular Mass
126.1564
Exact Mass
126.07931295
Charge
0
InChI
InChI=1S/C6H10N2O/c1-5(9)6-3-7-8(2)4-6/h3-5,9H,1-2H3
InChIKey
NNJMHJRBXQSTCT-UHFFFAOYSA-N
Canonic Smiles
Cn1ncc(c1)C(O)C
Isomeric Smiles
c1(cn(nc1)C)C(O)C
Calculated Properties
JChem
Acid pKa
14.468938
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.05026815
LogD (pH = 7.4)
0.0503303
Log P
0.05033113
Molar Refractivity
46.1961
Polarizability
13.203945
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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