Molecule

ID:91807

General Information
Structure
MolImage
Molecular Formula
C₁₅H₈O₄
Molecular Mass
252.22162
Exact Mass
252.04225874
Charge
0
InChI
InChI=1S/C15H8O4/c16-13-9-3-1-2-4-10(9)14(17)12-7-8(15(18)19)5-6-11(12)13/h1-7H,(H,18,19)
InChIKey
ASDLSKCKYGVMAI-UHFFFAOYSA-N
Canonic Smiles
O=C1c2cc(ccc2C(=O)c2c1cccc2)C(=O)O
Isomeric Smiles
OC(=O)c1cc2c(cc1)C(=O)c1ccccc1C2=O
Calculated Properties
JChem
Acid pKa
3.604387
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.6851633
LogD (pH = 7.4)
-0.7652146
Log P
2.576289
Molar Refractivity
68.4072
Polarizability
25.63768
Polar Surface Area
71.44
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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