4-[(E)-(4-fluorophenyl)methylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione

Formula:C10H6N4F4S Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(E)-(4-fluorophenyl)methylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	4-[(E)-(4-fluorophenyl)methylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione
MolecularFormula	C10H6N4F4S
Smiles	FC(C(N1/N=C/c(cc2)ccc2F)=NNC1=S)(F)F
InChI	InChI=1S/C10H6F4N4S/c11-7-3-1-6(2-4-7)5-15-18-8(10(12,13)14)16-17-9(18)19/h1-5H,(H,17,19)
InChIK	CBDSEJYDEMLGSQ-UHFFFAOYSA-N
TotalMolweight	290.244
Molweight	290.244
MonoisotopicMass	290.024928
CLogP	2.4616
CLogS	-4.335
H Acceptors	4
H Donors	1
TotalSurfaceArea	197.77
Relative PSA	0.33387
PolarSurfaceArea	72.08
Druglikeness	-8.0985
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.57895
Fragments	1
Non HAtoms	19
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
Symmetricatoms	4
StereoCon

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