4-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione

Formula:C9H6N4Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	4-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
MolecularFormula	C9H6N4Cl2S
Smiles	S=C(NN=C1)N1N=Cc(c(Cl)ccc1)c1Cl
InChI	InChI=1S/C9H6Cl2N4S/c10-7-2-1-3-8(11)6(7)4-13-15-5-12-14-9(15)16/h1-5H,(H,14,16)
InChIK	VACXXBHLAVIARN-UHFFFAOYSA-N
TotalMolweight	273.147
Molweight	273.147
MonoisotopicMass	271.96902
CLogP	2.8605
CLogS	-4.922
H Acceptors	4
H Donors	1
TotalSurfaceArea	194.59
Relative PSA	0.33933
PolarSurfaceArea	72.08
Druglikeness	3.7722
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.5625
Fragments	1
Non HAtoms	16
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	1
Symmetricatoms	3
StereoCon

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