Molecule
ID:56154
General Information
Molecular Formula
C₁₅H₉NO₅
Molecular Mass
283.23566
Exact Mass
283.04807239
Charge
0
InChI
InChI=1S/C15H9NO5/c17-12-4-2-1-3-11(12)16-13(18)9-6-5-8(15(20)21)7-10(9)14(16)19/h1-7,17H,(H,20,21)
InChIKey
LOCUVUONCCLSGK-UHFFFAOYSA-N
Canonic Smiles
O=C1c2cc(ccc2C(=O)N1c1ccccc1O)C(=O)O
Isomeric Smiles
c1ccc(c(c1)O)N1C(=O)c2c(C1=O)ccc(c2)C(=O)O
Calculated Properties
JChem
Acid pKa
3.4899015
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-0.07307265
LogD (pH = 7.4)
-1.506679
Log P
1.9290751
Molar Refractivity
73.2262
Polarizability
27.099073
Polar Surface Area
94.91
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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