3-(4-chlorophenyl)-4-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione

Formula:C16H10N4ClF3S Mutagenic:high Tumorigenic:none Reproductive Effective:high 3-(4-chlorophenyl)-4-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	3-(4-chlorophenyl)-4-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
MolecularFormula	C16H10N4ClF3S
Smiles	FC(c1c(/C=N\N(C(c(cc2)ccc2Cl)=NN2)C2=S)cccc1)(F)F
InChI	InChI=1S/C16H10ClF3N4S/c17-12-7-5-10(6-8-12)14-22-23-15(25)24(14)21-9-11-3-1-2-4-13(11)16(18,19)20/h1-9H,(H,23,25)
InChIK	FAAQSNGKDPHGSA-UHFFFAOYSA-N
TotalMolweight	382.796
Molweight	382.796
MonoisotopicMass	382.026677
CLogP	4.7493
CLogS	-5.965
H Acceptors	4
H Donors	1
TotalSurfaceArea	266.6
Relative PSA	0.24767
PolarSurfaceArea	72.08
Druglikeness	-3.5755
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.52
Fragments	1
Non HAtoms	25
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	4
StereoCon

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