Molecule

ID:43002

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO₃
Molecular Mass
205.20994
Exact Mass
205.07389322
Charge
0
InChI
InChI=1S/C11H11NO3/c13-10(7-4-8-11(14)15)12-9-5-2-1-3-6-9/h1-7H,8H2,(H,12,13)(H,14,15)/b7-4-
InChIKey
POGLAMTWTLZJCW-DAXSKMNVSA-N
Canonic Smiles
O=C(Nc1ccccc1)/C=C\CC(=O)O
Isomeric Smiles
C(=O)(Nc1ccccc1)/C=C\CC(=O)O
Calculated Properties
JChem
Acid pKa
4.172121
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.13310541
LogD (pH = 7.4)
-1.5740201
Log P
1.478211
Molar Refractivity
57.5086
Polarizability
21.018694
Polar Surface Area
66.4
Rotatable Bonds
4
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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