Molecule

ID:13818

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈O₄
Molecular Mass
240.21092
Exact Mass
240.04225874
Charge
0
InChI
InChI=1S/C14H8O4/c15-13(16)11-7-10-9-4-2-1-3-8(9)5-6-12(10)18-14(11)17/h1-7H,(H,15,16)
InChIKey
RMHHFZIWCLXRTA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc2c(oc1=O)ccc1c2cccc1
Isomeric Smiles
c1(c(=O)oc2c(c1)c1c(cc2)cccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.5210779
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.38867798
LogD (pH = 7.4)
-1.0089035
Log P
2.3600795
Molar Refractivity
64.0731
Polarizability
25.54713
Polar Surface Area
63.6
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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