Molecule

ID:51813

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₃
Molecular Mass
209.2417
Exact Mass
209.10519335
Charge
0
InChI
InChI=1S/C11H15NO3/c1-2-15-11(14)12-8-7-9-3-5-10(13)6-4-9/h3-6,13H,2,7-8H2,1H3,(H,12,14)
InChIKey
PTGMINZYLYOVNN-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)NCCc1ccc(cc1)O
Isomeric Smiles
C(=O)(NCCc1ccc(cc1)O)OCC
Calculated Properties
JChem
Acid pKa
9.504586
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.8790131
LogD (pH = 7.4)
1.8756754
Log P
1.8790559
Molar Refractivity
57.0833
Polarizability
22.049936
Polar Surface Area
58.56
Rotatable Bonds
5
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
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References
Bioactivity
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