Molecule

ID:53539

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NO₃
Molecular Mass
193.19924
Exact Mass
193.07389322
Charge
0
InChI
InChI=1S/C10H11NO3/c1-7(12)11-9-6-4-3-5-8(9)10(13)14-2/h3-6H,1-2H3,(H,11,12)
InChIKey
UYQKZKVNYKOXHG-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccccc1NC(=O)C
Isomeric Smiles
c1(c(NC(=O)C)cccc1)C(=O)OC
Calculated Properties
JChem
Acid pKa
12.547065
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8644332
LogD (pH = 7.4)
1.8644302
Log P
1.8644332
Molar Refractivity
52.9463
Polarizability
19.65029
Polar Surface Area
55.4
Rotatable Bonds
3
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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