Molecule

ID:24705

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈O₃
Molecular Mass
224.21152
Exact Mass
224.04734412
Charge
0
InChI
InChI=1S/C14H8O3/c15-13-9-5-2-1-4-8(9)12-10(13)6-3-7-11(12)14(16)17/h1-7H,(H,16,17)
InChIKey
AFQYQSWTVCNJQT-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc2c1c1ccccc1C2=O
Isomeric Smiles
c12c(C(=O)c3c1cccc3)cccc2C(=O)O
Calculated Properties
JChem
Acid pKa
3.5013776
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.77381116
LogD (pH = 7.4)
-0.61081225
Log P
2.7641613
Molar Refractivity
62.9679
Polarizability
24.938295
Polar Surface Area
54.37
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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