Molecule
ID:57937
General Information
Molecular Formula
C₁₄H₁₁NO₃
Molecular Mass
241.24204
Exact Mass
241.07389322
Charge
0
InChI
InChI=1S/C14H11NO3/c16-13(10-5-2-1-3-6-10)15-12-8-4-7-11(9-12)14(17)18/h1-9H,(H,15,16)(H,17,18)
InChIKey
WXTOAZQBWHSIQN-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)Nc1cccc(c1)C(=O)O
Isomeric Smiles
C(=O)(Nc1cc(C(=O)O)ccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
3.9185357
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.1348794
LogD (pH = 7.4)
-0.48120284
Log P
2.7227135
Molar Refractivity
68.8477
Polarizability
25.261894
Polar Surface Area
66.4
Rotatable Bonds
3
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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