5-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1,2-dihydro-1,2,4-triazole-3-thione

Formula:C10H7N3Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:high 5-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1,2-dihydro-1,2,4-triazole-3-thione is a drug-like molecule.

MolName	5-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1,2-dihydro-1,2,4-triazole-3-thione
MolecularFormula	C10H7N3Cl2S
Smiles	S=C1N=C(/C=C/c(ccc(Cl)c2)c2Cl)NN1
InChI	InChI=1S/C10H7Cl2N3S/c11-7-3-1-6(8(12)5-7)2-4-9-13-10(16)15-14-9/h1-5H,(H2,13,14,15,16)
InChIK	JIMGHSVNQRAMOL-UHFFFAOYSA-N
TotalMolweight	272.159
Molweight	272.159
MonoisotopicMass	270.973771
CLogP	1.6713
CLogS	-4.662
H Acceptors	3
H Donors	2
TotalSurfaceArea	195.7
Relative PSA	0.31901
PolarSurfaceArea	68.51
Druglikeness	0.92889
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.6875
Fragments	1
Non HAtoms	16
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	1
BasicNitrogens	1
StereoCon

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1 - 5-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1,2-dihydro-1,2,4-triazole-3-thione | 2 - 5-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1,2-dihydro-1,2,4-triazole-3-thione

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