Molecule

ID:86391

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃NO₃
Molecular Mass
207.22582
Exact Mass
207.08954328
Charge
0
InChI
InChI=1S/C11H13NO3/c1-8(13)12-9-2-4-10(5-3-9)14-6-11-7-15-11/h2-5,11H,6-7H2,1H3,(H,12,13)
InChIKey
OQAKYHCGYGLHAZ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1ccc(cc1)OCC1OC1
Isomeric Smiles
O1C(C1)COc1ccc(cc1)NC(=O)C
Calculated Properties
JChem
Acid pKa
14.968965
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.8945515
LogD (pH = 7.4)
0.8945515
Log P
0.8945515
Molar Refractivity
56.1289
Polarizability
21.388912
Polar Surface Area
50.86
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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