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

Formula:C19H13N4FS Mutagenic:high Tumorigenic:high Reproductive Effective:high 3-(2-fluorophenyl)-4-[(Z)-naphthalen-1-ylmethylideneamino]-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	3-(2-fluorophenyl)-4-[(Z)-naphthalen-1-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
MolecularFormula	C19H13N4FS
Smiles	Fc(cccc1)c1C(N1/N=C\c2cccc3ccccc23)=NNC1=S
InChI	InChI=1S/C19H13FN4S/c20-17-11-4-3-10-16(17)18-22-23-19(25)24(18)21-12-14-8-5-7-13-6-1-2-9-15(13)14/h1-12H,(H,23,25)
InChIK	GMLQERNXKXYWEL-UHFFFAOYSA-N
TotalMolweight	348.404
Molweight	348.404
MonoisotopicMass	348.084494
CLogP	4.5902
CLogS	-6.371
H Acceptors	4
H Donors	1
TotalSurfaceArea	262.67
Relative PSA	0.25138
PolarSurfaceArea	72.08
Druglikeness	2.2515
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.52
Fragments	1
Non HAtoms	25
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	1
StereoCon

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