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

Formula:C15H10N5O2ClS Mutagenic:high Tumorigenic:none Reproductive Effective:high 3-(3-chlorophenyl)-4-[(Z)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	3-(3-chlorophenyl)-4-[(Z)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
MolecularFormula	C15H10N5O2ClS
Smiles	[O-][N+](c1ccc(/C=N\N(C(c2cccc(Cl)c2)=NN2)C2=S)cc1)=O
InChI	InChI=1S/C15H10ClN5O2S/c16-12-3-1-2-11(8-12)14-18-19-15(24)20(14)17-9-10-4-6-13(7-5-10)21(22)23/h1-9H,(H,19,24)
InChIK	TYBBQCKGRJOPFE-UHFFFAOYSA-N
TotalMolweight	359.796
Molweight	359.796
MonoisotopicMass	359.024372
CLogP	2.9794
CLogS	-5.647
H Acceptors	7
H Donors	1
TotalSurfaceArea	260.81
Relative PSA	0.36981
PolarSurfaceArea	117.9
Druglikeness	-1.5955
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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