Molecule

ID:118270

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₃
Molecular Mass
209.2417
Exact Mass
209.10519335
Charge
0
InChI
InChI=1S/C11H15NO3/c1-3-15-11(13)8-12-9-4-6-10(14-2)7-5-9/h4-7,12H,3,8H2,1-2H3
InChIKey
TZJRPKDPYLAMJZ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CNc1ccc(cc1)OC
Isomeric Smiles
C(=O)(CNc1ccc(cc1)OC)OCC
Calculated Properties
JChem
Acid pKa
17.69796
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2674655
LogD (pH = 7.4)
1.2690182
Log P
1.269038
Molar Refractivity
58.3173
Polarizability
22.125143
Polar Surface Area
47.56
Rotatable Bonds
6
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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