Molecule

ID:56185

General Information
Structure
MolImage
Molecular Formula
C₁₆H₉NO₆
Molecular Mass
311.24576
Exact Mass
311.04298701
Charge
0
InChI
InChI=1S/C16H9NO6/c18-13-11-5-4-9(16(22)23)7-12(11)14(19)17(13)10-3-1-2-8(6-10)15(20)21/h1-7H,(H,20,21)(H,22,23)
InChIKey
RQQWSBAUSJDYFA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1cccc(c1)C(=O)O
Isomeric Smiles
c1cc(C(=O)O)cc(c1)N1C(=O)c2c(C1=O)ccc(c2)C(=O)O
Calculated Properties
JChem
Acid pKa
3.3449256
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
-1.7255888
LogD (pH = 7.4)
-4.706537
Log P
1.8902234
Molar Refractivity
78.5015
Polarizability
28.875486
Polar Surface Area
111.98
Rotatable Bonds
3
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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