5-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one

Formula:C10H8N5OF Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one is a drug-like molecule.

MolName5-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
MolecularFormulaC10H8N5OF
SmilesO=C(NN=C1)N=C1N/N=C\c(cc1)ccc1F
InChIInChI=1S/C10H8FN5O/c11-8-3-1-7(2-4-8)5-12-15-9-6-13-16-10(17)14-9/h1-6H,(H2,14,15,16,17)
InChIKMDWHUEHSMLGGRY-UHFFFAOYSA-N
TotalMolweight233.206
Molweight233.206
MonoisotopicMass233.071288
CLogP1.0439
CLogS-3.78
H Acceptors6
H Donors2
TotalSurfaceArea179.27
Relative PSA0.39321
PolarSurfaceArea78.21
Druglikeness2.3911
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.70588
Fragments1
Non HAtoms17
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond2
Rings Closures2
Small Rings2
Aromatic Rings1
Aromatic Atoms6
Symmetricatoms2
StereoCon

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