Molecule

ID:109504

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃NO₃
Molecular Mass
207.22582
Exact Mass
207.08954328
Charge
0
InChI
InChI=1S/C11H13NO3/c1-8(13)7-11(14)12-9-5-3-4-6-10(9)15-2/h3-6H,7H2,1-2H3,(H,12,14)
InChIKey
KYYRTDXOHQYZPO-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1NC(=O)CC(=O)C
Isomeric Smiles
COc1ccccc1NC(=O)CC(=O)C
Calculated Properties
JChem
Acid pKa
10.504501
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2751346
LogD (pH = 7.4)
1.2747982
Log P
1.2751389
Molar Refractivity
57.2794
Polarizability
21.497072
Polar Surface Area
55.4
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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