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

Formula:C13H8N4Cl2S2 Mutagenic:high Tumorigenic:none Reproductive Effective:high 3-(2,4-dichlorophenyl)-4-[(Z)-thiophen-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	3-(2,4-dichlorophenyl)-4-[(Z)-thiophen-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
MolecularFormula	C13H8N4Cl2S2
Smiles	S=C(NN=C1c(ccc(Cl)c2)c2Cl)N1/N=C\c1cccs1
InChI	InChI=1S/C13H8Cl2N4S2/c14-8-3-4-10(11(15)6-8)12-17-18-13(20)19(12)16-7-9-2-1-5-21-9/h1-7H,(H,18,20)
InChIK	GAOINZYBICGWGN-UHFFFAOYSA-N
TotalMolweight	355.273
Molweight	355.273
MonoisotopicMass	353.95674
CLogP	4.3736
CLogS	-5.933
H Acceptors	4
H Donors	1
TotalSurfaceArea	248.5
Relative PSA	0.34765
PolarSurfaceArea	100.32
Druglikeness	5.328
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.57143
Fragments	1
Non HAtoms	21
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
StereoCon

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1 - 3-(2,4-dichlorophenyl)-4-[(Z)-thiophen-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione | 2 - 3-(2,4-dichlorophenyl)-4-[(Z)-thiophen-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione

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