Molecule

ID:56155

General Information
Structure
MolImage
Molecular Formula
C₁₅H₉NO₅
Molecular Mass
283.23566
Exact Mass
283.04807239
Charge
0
InChI
InChI=1S/C15H9NO5/c17-10-3-1-2-9(7-10)16-13(18)11-5-4-8(15(20)21)6-12(11)14(16)19/h1-7,17H,(H,20,21)
InChIKey
VCROVLIVVNWJOU-UHFFFAOYSA-N
Canonic Smiles
Oc1cccc(c1)N1C(=O)c2c(C1=O)ccc(c2)C(=O)O
Isomeric Smiles
c1ccc(cc1O)N1C(=O)c2c(C1=O)ccc(c2)C(=O)O
Calculated Properties
JChem
Acid pKa
3.4905057
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-0.071846806
LogD (pH = 7.4)
-1.4585938
Log P
1.9290751
Molar Refractivity
73.2262
Polarizability
27.09763
Polar Surface Area
94.91
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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