Molecule

ID:57789

General Information
Structure
Molecular Formula
C₁₁H₁₃NO₃
Molecular Mass
207.22582
Exact Mass
207.08954328
Charge
0
InChI
InChI=1S/C11H13NO3/c1-3-15-11(14)10(13)12-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,12,13)
InChIKey
AAMWAWJQPFWTEN-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(=O)Nc1ccc(cc1)C
Isomeric Smiles
C(=O)(C(=O)OCC)Nc1ccc(cc1)C
Calculated Properties
JChem
Acid pKa
10.907462
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.4200056
LogD (pH = 7.4)
2.4198787
Log P
2.420007
Molar Refractivity
57.2748
Polarizability
21.435497
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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