Molecule

ID:60206

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃NO₃
Molecular Mass
207.22582
Exact Mass
207.08954328
Charge
0
InChI
InChI=1S/C11H13NO3/c1-3-15-11(14)10(13)12-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3,(H,12,13)
InChIKey
OVFYTRYWFURUJL-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(=O)Nc1ccccc1C
Isomeric Smiles
C(=O)(Nc1c(C)cccc1)C(=O)OCC
Calculated Properties
JChem
Acid pKa
10.824263
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.420005
LogD (pH = 7.4)
2.4198518
Log P
2.420007
Molar Refractivity
57.2748
Polarizability
21.43644
Polar Surface Area
55.4
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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