Chemical Compounds of Interest

(Q4924)

Revision as of 19:01, 1 August 2024 by Egonw (talk | contribs) (‎Created claim: part of (P21): AOP-Wiki Prototypical Stressors (Q4761), #quickstatements; #temporary_batch_1722538560686)
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Statements

SMILES
C[C@@H](C1=NC=NC=C1F)[C@](CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O
0 references
chemical formula
C₁₆H₁₄F₃N₅O
1 reference
based on heuristic
inferred from SMILES
InChI
InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1
1 reference
based on heuristic
inferred from SMILES
AOP-Wiki Stressor ID
291
0 references
 
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