Molecule

ID:56138

General Information
Structure
MolImage
Molecular Formula
C₁₅H₉NO₄
Molecular Mass
267.23626
Exact Mass
267.05315777
Charge
0
InChI
InChI=1S/C15H9NO4/c17-13-11-7-6-9(15(19)20)8-12(11)14(18)16(13)10-4-2-1-3-5-10/h1-8H,(H,19,20)
InChIKey
LJQKDUGNSCMZSJ-UHFFFAOYSA-N
Canonic Smiles
O=C1N(c2ccccc2)C(=O)c2c1cc(cc2)C(=O)O
Isomeric Smiles
c1ccc(cc1)N1C(=O)c2c(C1=O)ccc(c2)C(=O)O
Calculated Properties
JChem
Acid pKa
3.4905324
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.2318636
LogD (pH = 7.4)
-1.1455514
Log P
2.2326405
Molar Refractivity
71.2453
Polarizability
26.44999
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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