Molecule

ID:123409

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈O₃
Molecular Mass
224.21152
Exact Mass
224.04734412
Charge
0
InChI
InChI=1S/C14H8O3/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(16)17-13/h1-8H
InChIKey
RTSGJTANVBJFFJ-UHFFFAOYSA-N
Canonic Smiles
O=c1oc(=O)c2c(c3c1cccc3)cccc2
Isomeric Smiles
o1c(=O)c2c(c3c(c1=O)cccc3)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.069809
LogD (pH = 7.4)
3.069809
Log P
3.069809
Molar Refractivity
62.5012
Polarizability
25.022575
Polar Surface Area
43.37
Rotatable Bonds
0
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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