Molecule

ID:86325

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₃
Molecular Mass
209.2417
Exact Mass
209.10519335
Charge
0
InChI
InChI=1S/C11H15NO3/c1-6-9(8(3)13)10(11(14)15-5)7(2)12(6)4/h1-5H3
InChIKey
DRCKQOUJJDVCGR-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1c(C)n(c(c1C(=O)C)C)C
Isomeric Smiles
n1(c(c(c(c1C)C(=O)C)C(=O)OC)C)C
Calculated Properties
JChem
Acid pKa
15.569872
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2370532
LogD (pH = 7.4)
1.2370532
Log P
1.2370532
Molar Refractivity
58.441
Polarizability
21.518642
Polar Surface Area
48.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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