3-(2,4-dichlorophenyl)-4-[(Z)-(3-phenoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione

Formula:C21H14N4OCl2S Mutagenic:high Tumorigenic:none Reproductive Effective:high 3-(2,4-dichlorophenyl)-4-[(Z)-(3-phenoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione is not a drug-like molecule.

MolName	3-(2,4-dichlorophenyl)-4-[(Z)-(3-phenoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
MolecularFormula	C21H14N4OCl2S
Smiles	S=C(NN=C1c(ccc(Cl)c2)c2Cl)N1/N=C\c1cc(Oc2ccccc2)ccc1
InChI	InChI=1S/C21H14Cl2N4OS/c22-15-9-10-18(19(23)12-15)20-25-26-21(29)27(20)24-13-14-5-4-8-17(11-14)28-16-6-2-1-3-7-16/h1-13H,(H,26,29)
InChIK	WDDKZGKEVYQYHL-UHFFFAOYSA-N
TotalMolweight	441.341
Molweight	441.341
MonoisotopicMass	440.026535
CLogP	5.9026
CLogS	-8.22
H Acceptors	5
H Donors	1
TotalSurfaceArea	322.32
Relative PSA	0.23588
PolarSurfaceArea	81.31
Druglikeness	3.4665
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	2
StereoCon

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