Molecule

ID:66616

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄N₂O₃
Molecular Mass
186.20836
Exact Mass
186.10044232
Charge
0
InChI
InChI=1S/C8H14N2O3/c1-6(11)9-7(5-10(2)3)8(12)13-4/h5H,1-4H3,(H,9,11)/b7-5+
InChIKey
DUIYXFBABCZIPX-FNORWQNLSA-N
Canonic Smiles
COC(=O)/C(=C\N(C)C)/NC(=O)C
Isomeric Smiles
C(=O)(/C(=C\N(C)C)/NC(=O)C)OC
Calculated Properties
JChem
Acid pKa
12.455606
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.83678246
LogD (pH = 7.4)
-0.83678573
Log P
-0.83678234
Molar Refractivity
48.8337
Polarizability
18.397236
Polar Surface Area
58.64
Rotatable Bonds
4
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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