Molecule

ID:34805

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₃
Molecular Mass
209.2417
Exact Mass
209.10519335
Charge
0
InChI
InChI=1S/C11H15NO3/c1-5-15-11(14)10-6(2)9(8(4)13)7(3)12-10/h12H,5H2,1-4H3
InChIKey
ALRDOFWBPAZOCW-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1[nH]c(c(c1C)C(=O)C)C
Isomeric Smiles
c1(c(c(c([nH]1)C)C(=O)C)C)C(=O)OCC
Calculated Properties
JChem
Acid pKa
11.176145
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6040454
LogD (pH = 7.4)
1.6039824
Log P
1.6040462
Molar Refractivity
58.0619
Polarizability
21.59667
Polar Surface Area
59.16
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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