FLUAZIFOP-P

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Molecule Category Free-form
UNII P3S3257FZF
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 YUVKUEAFAVKILW-SECBINFHSA-N
Smiles C[C@@H](Oc1ccc(Oc2ccc(cn2)C(F)(F)F)cc1)C(=O)O
InChI
InChI=1S/C15H12F3NO4/c1-9(14(20)21)22-11-3-5-12(6-4-11)23-13-7-2-10(8-19-13)15(16,17)18/h2-9H,1H3,(H,20,21)/t9-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H12F3NO4
Molecular Weight 327.26
AlogP 3.67
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 68.65
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 23.0

Cross References

Resources Reference
ChEMBL CHEMBL2272787
FDA SRS P3S3257FZF
PubChem 91733
SureChEMBL SCHEMBL118853
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