4-(2-CHLORO-4-FLUOROPHENYL)-2-(2,6-DIFLUOROPHENYL)-4,5-DIHYDROOXAZOLE

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Molecule Category Free-form
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key ONYVARHAZIRLRC-UHFFFAOYSA-N
Smiles Fc1ccc(C2COC(=N2)c3c(F)cccc3F)c(Cl)c1
InChI
InChI=1S/C15H9ClF3NO/c16-10-6-8(17)4-5-9(10)13-7-21-15(20-13)14-11(18)2-1-3-12(14)19/h1-6,13H,7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H9ClF3NO
Molecular Weight 311.69
AlogP 4.66
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 21.59
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 21.0

Cross References

Resources Reference
ChEMBL CHEMBL2271335
PubChem 14853267
CONTENTS