Molecule
ID:119488
General Information
Molecular Formula
C₁₇H₉NO₄
Molecular Mass
291.25766
Exact Mass
291.05315777
Charge
0
InChI
InChI=1S/C17H9NO4/c19-15-9-5-1-2-6-10(9)16(20)14-13(15)12(17(21)22)11-7-3-4-8-18(11)14/h1-8H,(H,21,22)
InChIKey
IWTDBHRFVHGMBT-UHFFFAOYSA-N
Canonic Smiles
O=C1c2ccccc2C(=O)c2c1n1ccccc1c2C(=O)O
Isomeric Smiles
c12c(c3n(c1C(=O)c1c(C2=O)cccc1)cccc3)C(=O)O
Calculated Properties
JChem
Acid pKa
3.657306
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.29275835
LogD (pH = 7.4)
-1.1893686
Log P
2.1328042
Molar Refractivity
80.3674
Polarizability
30.173323
Polar Surface Area
75.85
Rotatable Bonds
1
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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