Molecule

ID:59080

General Information
Structure
Molecular Formula
C₁₇H₁₃NO₃
Molecular Mass
279.29002
Exact Mass
279.08954328
Charge
0
InChI
InChI=1S/C17H13NO3/c1-11-6-8-12(9-7-11)21-16-10-15(17(19)20)18-14-5-3-2-4-13(14)16/h2-10H,1H3,(H,19,20)
InChIKey
OSPPRIBFNJOGHQ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)Oc1cc(nc2c1cccc2)C(=O)O
Isomeric Smiles
n1c(cc(c2c1cccc2)Oc1ccc(cc1)C)C(=O)O
Calculated Properties
JChem
Acid pKa
0.98045737
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.20355
LogD (pH = 7.4)
0.9985412
Log P
2.3874795
Molar Refractivity
78.1455
Polarizability
31.377197
Polar Surface Area
59.42
Rotatable Bonds
3
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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