Molecule

ID:130623

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃NO₃
Molecular Mass
207.22582
Exact Mass
207.08954328
Charge
0
InChI
InChI=1S/C11H13NO3/c1-7(13)9-4-5-11(15-3)10(6-9)12-8(2)14/h4-6H,1-3H3,(H,12,14)
InChIKey
YAWSGLTYMVPIRM-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1NC(=O)C)C(=O)C
Isomeric Smiles
CC(=O)c1ccc(c(c1)NC(=O)C)OC
Calculated Properties
JChem
Acid pKa
12.442343
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.6109324
LogD (pH = 7.4)
0.6109287
Log P
0.6109324
Molar Refractivity
57.787
Polarizability
21.475378
Polar Surface Area
55.4
Rotatable Bonds
3
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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