Molecule

ID:89434

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO₃
Molecular Mass
205.20994
Exact Mass
205.07389322
Charge
0
InChI
InChI=1S/C11H11NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-7H,1H3,(H,12,13)(H,14,15)
InChIKey
XODAOBAZOQSFDS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)/C(=C/c1ccccc1)/NC(=O)C
Isomeric Smiles
N(/C(=C\c1ccccc1)/C(=O)O)C(=O)C
Calculated Properties
JChem
Acid pKa
3.946029
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.7622683
LogD (pH = 7.4)
-2.3901093
Log P
0.79909426
Molar Refractivity
56.1286
Polarizability
21.098364
Polar Surface Area
66.4
Rotatable Bonds
3
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
References
Bioactivity
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