Molecule

ID:63229

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃NO₃
Molecular Mass
207.22582
Exact Mass
207.08954328
Charge
0
InChI
InChI=1S/C11H13NO3/c13-10-6-12(7-10)11(14)15-8-9-4-2-1-3-5-9/h1-5,10,13H,6-8H2
InChIKey
XJWSNDGCJMGHSR-UHFFFAOYSA-N
Canonic Smiles
OC1CN(C1)C(=O)OCc1ccccc1
Isomeric Smiles
N1(C(=O)OCc2ccccc2)CC(O)C1
Calculated Properties
JChem
Acid pKa
14.74719
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.95896816
LogD (pH = 7.4)
0.95896816
Log P
0.95896816
Molar Refractivity
54.489
Polarizability
21.342247
Polar Surface Area
49.77
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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