Molecule

ID:40603

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₀O₄
Molecular Mass
266.2482
Exact Mass
266.0579088
Charge
0
InChI
InChI=1S/C16H10O4/c17-14(18)8-9-5-6-12-13(7-9)16(20)11-4-2-1-3-10(11)15(12)19/h1-7H,8H2,(H,17,18)
InChIKey
NRIDTWIMIZBRGT-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1ccc2c(c1)C(=O)c1c(C2=O)cccc1
Isomeric Smiles
c12C(=O)c3c(C(=O)c1ccc(c2)CC(=O)O)cccc3
Calculated Properties
JChem
Acid pKa
3.2547028
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.33070248
LogD (pH = 7.4)
-0.87885356
Log P
2.5564544
Molar Refractivity
72.4586
Polarizability
27.499025
Polar Surface Area
71.44
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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