4-[(Z)-pyridin-2-ylmethylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione

Formula:C9H6N5F3S Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-pyridin-2-ylmethylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	4-[(Z)-pyridin-2-ylmethylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione
MolecularFormula	C9H6N5F3S
Smiles	FC(C(N1/N=C\c2ncccc2)=NNC1=S)(F)F
InChI	InChI=1S/C9H6F3N5S/c10-9(11,12)7-15-16-8(18)17(7)14-5-6-3-1-2-4-13-6/h1-5H,(H,16,18)
InChIK	URUQQJBHRCSEAM-UHFFFAOYSA-N
TotalMolweight	273.242
Molweight	273.242
MonoisotopicMass	273.029599
CLogP	1.4139
CLogS	-3.25
H Acceptors	5
H Donors	1
TotalSurfaceArea	190.18
Relative PSA	0.40488
PolarSurfaceArea	84.97
Druglikeness	-8.0985
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.55556
Fragments	1
Non HAtoms	18
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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