Molecule

ID:119679

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₀O₄
Molecular Mass
266.2482
Exact Mass
266.0579088
Charge
0
InChI
InChI=1S/C16H10O4/c17-15(18)12-7-3-2-6-11(12)13-9-10-5-1-4-8-14(10)20-16(13)19/h1-9H,(H,17,18)
InChIKey
DACUXYCUJMGBFH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccccc1c1cc2ccccc2oc1=O
Isomeric Smiles
c1(c(=O)oc2c(c1)cccc2)c1c(C(=O)O)cccc1
Calculated Properties
JChem
Acid pKa
3.475838
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.0941389
LogD (pH = 7.4)
-0.2734312
Log P
3.1090302
Molar Refractivity
73.2569
Polarizability
27.684565
Polar Surface Area
63.6
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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