Molecule

ID:69640

General Information
Structure
Molecular Formula
C₁₁H₁₃NO₃
Molecular Mass
207.22582
Exact Mass
207.08954328
Charge
0
InChI
InChI=1S/C11H13NO3/c1-8(13)7-11(14)12-9-3-5-10(15-2)6-4-9/h3-6H,7H2,1-2H3,(H,12,14)
InChIKey
SWAJJKROCOJICG-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)NC(=O)CC(=O)C
Isomeric Smiles
C(=O)(CC(=O)C)Nc1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
10.755224
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2751365
LogD (pH = 7.4)
1.2749474
Log P
1.2751389
Molar Refractivity
57.2794
Polarizability
21.495075
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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