Molecule

ID:41950

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀N₂O₃
Molecular Mass
194.1873
Exact Mass
194.06914219
Charge
0
InChI
InChI=1S/C9H10N2O3/c1-6(12)11-8-4-3-7(5-10-8)9(13)14-2/h3-5H,1-2H3,(H,10,11,12)
InChIKey
UVGHZQJGBJMCRG-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(nc1)NC(=O)C
Isomeric Smiles
c1(C(=O)OC)cnc(NC(=O)C)cc1
Calculated Properties
JChem
Acid pKa
11.942228
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.59100866
LogD (pH = 7.4)
0.59120375
Log P
0.59121823
Molar Refractivity
51.1029
Polarizability
18.796675
Polar Surface Area
68.29
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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