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

Formula:C8H5N4F3S2 Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-thiophen-2-ylmethylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	4-[(Z)-thiophen-2-ylmethylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione
MolecularFormula	C8H5N4F3S2
Smiles	FC(C(N1/N=C\c2cccs2)=NNC1=S)(F)F
InChI	InChI=1S/C8H5F3N4S2/c9-8(10,11)6-13-14-7(16)15(6)12-4-5-2-1-3-17-5/h1-4H,(H,14,16)
InChIK	QEPXMEYZBZEGAB-UHFFFAOYSA-N
TotalMolweight	278.282
Molweight	278.282
MonoisotopicMass	277.99077
CLogP	2.2274
CLogS	-4.031
H Acceptors	4
H Donors	1
TotalSurfaceArea	187.36
Relative PSA	0.46109
PolarSurfaceArea	100.32
Druglikeness	-6.3935
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.52941
Fragments	1
Non HAtoms	17
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	2
Symmetricatoms	2
StereoCon

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