Molecule

ID:14309

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁NO₃
Molecular Mass
229.23134
Exact Mass
229.07389322
Charge
0
InChI
InChI=1S/C13H11NO3/c1-7-11(8(2)15)12(13(16)17)9-5-3-4-6-10(9)14-7/h3-6H,1-2H3,(H,16,17)
InChIKey
HIPCSIUQHLNUFA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1c(C(=O)C)c(C)nc2c1cccc2
Isomeric Smiles
c12c(c(c(nc1cccc2)C)C(=O)C)C(=O)O
Calculated Properties
JChem
Acid pKa
4.460843
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.39774978
LogD (pH = 7.4)
-1.3660722
Log P
1.477501
Molar Refractivity
62.2298
Polarizability
24.774563
Polar Surface Area
67.26
Rotatable Bonds
2
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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