Molecule

ID:13810

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁NO₃
Molecular Mass
253.25274
Exact Mass
253.07389322
Charge
0
InChI
InChI=1S/C15H11NO3/c16-13-8(7-17)5-6-11-12(13)15(19)10-4-2-1-3-9(10)14(11)18/h1-6,17H,7,16H2
InChIKey
KDMWWIREEDECOR-UHFFFAOYSA-N
Canonic Smiles
OCc1ccc2c(c1N)C(=O)c1c(C2=O)cccc1
Isomeric Smiles
c12c(C(=O)c3c(C1=O)cccc3)ccc(c2N)CO
Calculated Properties
JChem
Acid pKa
14.701504
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.9724232
LogD (pH = 7.4)
1.9724302
Log P
1.9724303
Molar Refractivity
72.6673
Polarizability
26.898066
Polar Surface Area
80.39
Rotatable Bonds
1
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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