Molecule

ID:56137

General Information
Structure
MolImage
Molecular Formula
C₁₅H₉NO₄
Molecular Mass
267.23626
Exact Mass
267.05315777
Charge
0
InChI
InChI=1S/C15H9NO4/c17-13-9-5-1-2-6-10(9)14(18)16(13)12-8-4-3-7-11(12)15(19)20/h1-8H,(H,19,20)
InChIKey
RSKJDIQHYKWJLS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccccc1N1C(=O)c2c(C1=O)cccc2
Isomeric Smiles
c1(ccccc1C(=O)O)N1C(=O)c2c(cccc2)C1=O
Calculated Properties
JChem
Acid pKa
3.337765
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.08567556
LogD (pH = 7.4)
-1.1851851
Log P
2.2326405
Molar Refractivity
71.2453
Polarizability
26.451208
Polar Surface Area
74.68
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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