Molecule

ID:90291

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₂O
Molecular Mass
126.1564
Exact Mass
126.07931295
Charge
0
InChI
InChI=1S/C6H10N2O/c1-5-8-6(3-7-2)4-9-5/h4,7H,3H2,1-2H3
InChIKey
SFLPQWGHHRKLNJ-UHFFFAOYSA-N
Canonic Smiles
CNCc1coc(n1)C
Isomeric Smiles
o1c(nc(c1)CNC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.645834
LogD (pH = 7.4)
-0.9237038
Log P
-0.32197735
Molar Refractivity
33.9339
Polarizability
13.285104
Polar Surface Area
38.06
Rotatable Bonds
2
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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