Molecule

ID:57426

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₃
Molecular Mass
209.2417
Exact Mass
209.10519335
Charge
0
InChI
InChI=1S/C11H15NO3/c1-11(2,10(13)14)12-8-4-6-9(15-3)7-5-8/h4-7,12H,1-3H3,(H,13,14)
InChIKey
WCPRVWFUKWZJIK-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)NC(C(=O)O)(C)C
Isomeric Smiles
c1cc(ccc1NC(C(=O)O)(C)C)OC
Calculated Properties
JChem
Acid pKa
2.672049
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.52625245
LogD (pH = 7.4)
-1.3297096
Log P
0.15299495
Molar Refractivity
58.0068
Polarizability
21.876717
Polar Surface Area
58.56
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
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Molecule Details
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References
Bioactivity
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