4-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-(2-fluorophenyl)-1H-1,2,4-triazole-5-thione

Formula:C15H9N4ClF2S Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-(2-fluorophenyl)-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	4-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-(2-fluorophenyl)-1H-1,2,4-triazole-5-thione
MolecularFormula	C15H9N4ClF2S
Smiles	Fc1cccc(Cl)c1C=NN(C(c(cccc1)c1F)=NN1)C1=S
InChI	InChI=1S/C15H9ClF2N4S/c16-11-5-3-7-13(18)10(11)8-19-22-14(20-21-15(22)23)9-4-1-2-6-12(9)17/h1-8H,(H,21,23)
InChIK	VYHPREHQRMTHSR-UHFFFAOYSA-N
TotalMolweight	350.779
Molweight	350.779
MonoisotopicMass	350.020449
CLogP	4.1026
CLogS	-5.815
H Acceptors	4
H Donors	1
TotalSurfaceArea	249.84
Relative PSA	0.26429
PolarSurfaceArea	72.08
Druglikeness	2.2745
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.52174
Fragments	1
Non HAtoms	23
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
StereoCon

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