Molecule

ID:128827

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O₃
Molecular Mass
206.198
Exact Mass
206.06914219
Charge
0
InChI
InChI=1S/C10H10N2O3/c11-9(13)5-12-7-3-1-2-4-8(7)15-6-10(12)14/h1-4H,5-6H2,(H2,11,13)
InChIKey
ZHDATZMWGSUDMP-UHFFFAOYSA-N
Canonic Smiles
NC(=O)CN1C(=O)COc2c1cccc2
Isomeric Smiles
O=C(N)CN1c2c(OCC1=O)cccc2
Calculated Properties
JChem
Acid pKa
15.36706
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.7102793
LogD (pH = 7.4)
-0.7102793
Log P
-0.7102793
Molar Refractivity
51.8478
Polarizability
20.101633
Polar Surface Area
72.63
Rotatable Bonds
2
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
No Data Available
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Molecule Details
References
Bioactivity
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