Molecule

ID:50763

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NO₄
Molecular Mass
209.19864
Exact Mass
209.06880784
Charge
0
InChI
InChI=1S/C10H11NO4/c1-14-9-5-7(10(13)15-2)3-4-8(9)11-6-12/h3-6H,1-2H3,(H,11,12)
InChIKey
GBCVHNFCUTULQV-UHFFFAOYSA-N
Canonic Smiles
O=CNc1ccc(cc1OC)C(=O)OC
Isomeric Smiles
C(=O)(c1cc(c(NC=O)cc1)OC)OC
Calculated Properties
JChem
Acid pKa
12.665274
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.0080632
LogD (pH = 7.4)
1.0080609
Log P
1.0080632
Molar Refractivity
54.919
Polarizability
20.365925
Polar Surface Area
64.63
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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