Molecule

ID:139115

General Information
Structure
Molecular Formula
C₁₆H₈O₃
Molecular Mass
248.23292
Exact Mass
248.04734412
Charge
0
InChI
InChI=1S/C16H8O3/c17-14-10-6-2-3-7-11(10)15-13(14)9-5-1-4-8-12(9)16(18)19-15/h1-8H
InChIKey
HVRWJPNEHHBGGY-UHFFFAOYSA-N
Canonic Smiles
O=C1c2ccccc2c2c1c1ccccc1c(=O)o2
Isomeric Smiles
c1ccc2c(c1)c1c(oc2=O)c2ccccc2C1=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6233754
LogD (pH = 7.4)
2.6233754
Log P
2.6233754
Molar Refractivity
70.9274
Polarizability
26.501047
Polar Surface Area
43.37
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
Molecule Details
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References
Bioactivity
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