2-[(2-chlorophenyl)methyl]-4-[(Z)-(4-fluorophenyl)methylideneamino]-1,2,4-triazole-3-thione

Formula:C16H12N4ClFS Mutagenic:high Tumorigenic:none Reproductive Effective:high 2-[(2-chlorophenyl)methyl]-4-[(Z)-(4-fluorophenyl)methylideneamino]-1,2,4-triazole-3-thione is a drug-like molecule.

MolName	2-[(2-chlorophenyl)methyl]-4-[(Z)-(4-fluorophenyl)methylideneamino]-1,2,4-triazole-3-thione
MolecularFormula	C16H12N4ClFS
Smiles	Fc1ccc(/C=N\N(C=NN2Cc(cccc3)c3Cl)C2=S)cc1
InChI	InChI=1S/C16H12ClFN4S/c17-15-4-2-1-3-13(15)10-21-16(23)22(11-20-21)19-9-12-5-7-14(18)8-6-12/h1-9,11H,10H2
InChIK	GYAYVBOSDRKUST-UHFFFAOYSA-N
TotalMolweight	346.816
Molweight	346.816
MonoisotopicMass	346.045521
CLogP	3.7911
CLogS	-5.318
H Acceptors	4
TotalSurfaceArea	257.88
Relative PSA	0.22538
PolarSurfaceArea	63.29
Druglikeness	2.582
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
StereoCon

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