Molecule
ID:121496
General Information
Molecular Formula
C₁₅H₁₁NO₃
Molecular Mass
253.25274
Exact Mass
253.07389322
Charge
0
InChI
InChI=1S/C15H11NO3/c17-14-13-10(5-4-8-12(13)15(18)19)9-16(14)11-6-2-1-3-7-11/h1-8H,9H2,(H,18,19)
InChIKey
MGTJLBBOVQWHLG-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc2c1C(=O)N(C2)c1ccccc1
Isomeric Smiles
C1(=O)N(Cc2c1c(C(=O)O)ccc2)c1ccccc1
Calculated Properties
JChem
Acid pKa
2.8595533
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.2506944
LogD (pH = 7.4)
-1.1510673
Log P
2.338007
Molar Refractivity
70.5182
Polarizability
26.37371
Polar Surface Area
57.61
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
No Data Available
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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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