4-[(2,4-dimethoxyphenyl)methylideneamino]-3-ethyl-1H-1,2,4-triazole-5-thione

Formula:C13H16N4O2S Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(2,4-dimethoxyphenyl)methylideneamino]-3-ethyl-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	4-[(2,4-dimethoxyphenyl)methylideneamino]-3-ethyl-1H-1,2,4-triazole-5-thione
MolecularFormula	C13H16N4O2S
Smiles	CCC(N1N=Cc(ccc(OC)c2)c2OC)=NNC1=S
InChI	InChI=1S/C13H16N4O2S/c1-4-12-15-16-13(20)17(12)14-8-9-5-6-10(18-2)7-11(9)19-3/h5-8H,4H2,1-3H3,(H,16,20)
InChIK	VJANDMRLLFUEIT-UHFFFAOYSA-N
TotalMolweight	292.362
Molweight	292.362
MonoisotopicMass	292.099396
CLogP	2.1909
CLogS	-3.587
H Acceptors	6
H Donors	1
TotalSurfaceArea	232.5
Relative PSA	0.37002
PolarSurfaceArea	90.54
Druglikeness	3.659
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.6
Fragments	1
Non HAtoms	20
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	7
StereoCon

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