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

Formula:C15H10N4OCl2S Mutagenic:high Tumorigenic:none Reproductive Effective:high 3-(2,4-dichlorophenyl)-4-[(Z)-(3-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	3-(2,4-dichlorophenyl)-4-[(Z)-(3-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
MolecularFormula	C15H10N4OCl2S
Smiles	Oc1cccc(/C=N\N(C(c(ccc(Cl)c2)c2Cl)=NN2)C2=S)c1
InChI	InChI=1S/C15H10Cl2N4OS/c16-10-4-5-12(13(17)7-10)14-19-20-15(23)21(14)18-8-9-2-1-3-11(22)6-9/h1-8,22H,(H,20,23)
InChIK	BKKCNGXHXBGRNZ-UHFFFAOYSA-N
TotalMolweight	365.243
Molweight	365.243
MonoisotopicMass	363.995235
CLogP	4.1613
CLogS	-5.627
H Acceptors	5
H Donors	2
TotalSurfaceArea	258.91
Relative PSA	0.30563
PolarSurfaceArea	92.31
Druglikeness	3.5356
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
StereoCon

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

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