Molecule

ID:102596

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃NO₃
Molecular Mass
255.26862
Exact Mass
255.08954328
Charge
0
InChI
InChI=1S/C15H13NO3/c1-10-5-4-6-11(9-10)16-14(17)12-7-2-3-8-13(12)15(18)19/h2-9H,1H3,(H,16,17)(H,18,19)
InChIKey
AZPJXONNBLOZFE-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)/N=C(/c1ccccc1C(=O)O)\O
Isomeric Smiles
Cc1cc(ccc1)/N=C(\O)/c1ccccc1C(=O)O
Calculated Properties
JChem
Acid pKa
3.1111057
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.6004869
LogD (pH = 7.4)
0.49404463
Log P
3.9635916
Molar Refractivity
74.644
Polarizability
26.979303
Polar Surface Area
69.89
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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