Molecular Identity
Isoxaflutole
(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone
PubChem CID: 84098
Isoxaflutole can cause cancer according to The Environmental Protection Agency (EPA).
2D Structure
Properties
C15H12F3NO4S
Molecular Formula
359.30
Molecular Weight
g/mol
359.0439
Exact Mass
Da
2.4
XLogP
Drug-like (Lipinski: < 5)
85.6
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
8
H-Bond Acceptors
597
Complexity
SMILES
Canonical SMILES
SMILES: CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C2=C(ON=C2)C3CC3Isomeric SMILES
SMILES: CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C2=C(ON=C2)C3CC3Synonyms(20)
Isoxaflutole141112-29-0MerlinBalanceIFT cpdDTXSID5034723EXP 31130A0T9R0O0EYTRPA 201772RPA-201772RP 201772264-EUP-99DTXCID3014723CHEBI:141213(5-Cyclopropyl-4-isoxazolyl)(2-(methylsulfonyl)-4-(trifluoromethyl)phenyl)methanone
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Isoxaflutole
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