Molecule

ID:14169

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁NO₄
Molecular Mass
269.25214
Exact Mass
269.06880784
Charge
0
InChI
InChI=1S/C15H11NO4/c1-8(15(19)20)16-13(17)10-6-2-4-9-5-3-7-11(12(9)10)14(16)18/h2-8H,1H3,(H,19,20)
InChIKey
KIMLTYQVHBXGLG-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(n1c(=O)c2cccc3c2c(c1=O)ccc3)C
Isomeric Smiles
c12c3c(=O)n(c(=O)c1cccc2ccc3)C(C(=O)O)C
Calculated Properties
JChem
Acid pKa
3.4915993
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.046426076
LogD (pH = 7.4)
-1.4245538
Log P
1.9533234
Molar Refractivity
71.2402
Polarizability
27.680399
Polar Surface Area
74.68
Rotatable Bonds
2
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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