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(Q4794)
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Revision as of 18:56, 1 August 2024 by
Egonw
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Created claim:
part of
(P21)
:
AOP-Wiki Prototypical Stressors
(Q4761)
, #quickstatements; #temporary_batch_1722538560686)
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Statements
instance of
type of a chemical entity
0 references
SMILES (without stereochemistry)
C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O
0 references
chemical formula
C₁₃H₁₂F₂N₆O
1 reference
based on heuristic
inferred from SMILES
mass
306.2713
1 reference
based on heuristic
inferred from SMILES
InChI
InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2
1 reference
based on heuristic
inferred from SMILES
InChIKey
RFHAOTPXVQNOHP-UHFFFAOYSA-N
1 reference
based on heuristic
inferred from SMILES
PubChem CID
3365
1 reference
based on heuristic
inferred from InChIKey
AOP-Wiki Stressor ID
290
0 references
part of
AOP-Wiki Prototypical Stressors
0 references