Molecule

ID:29707

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O₃
Molecular Mass
170.1659
Exact Mass
170.06914219
Charge
0
InChI
InChI=1S/C7H10N2O3/c1-2-12-6(10)5-3-8-7(11)9-4-5/h3H,2,4H2,1H3,(H2,8,9,11)
InChIKey
DYEUWQNJWMPQAL-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1=CNC(=O)NC1
Isomeric Smiles
C1(=O)NCC(=CN1)C(=O)OCC
Calculated Properties
JChem
Acid pKa
12.813821
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.6162772
LogD (pH = 7.4)
-0.6162787
Log P
-0.6162772
Molar Refractivity
41.332
Polarizability
15.869281
Polar Surface Area
67.43
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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