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

Formula:C15H9N5O2Cl2S Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-3-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	4-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-3-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione
MolecularFormula	C15H9N5O2Cl2S
Smiles	[O-][N+](c(cc1)cc(/C=N\N(C(c(cc2)ccc2Cl)=NN2)C2=S)c1Cl)=O
InChI	InChI=1S/C15H9Cl2N5O2S/c16-11-3-1-9(2-4-11)14-19-20-15(25)21(14)18-8-10-7-12(22(23)24)5-6-13(10)17/h1-8H,(H,20,25)
InChIK	NJURNQLYPSAAKH-UHFFFAOYSA-N
TotalMolweight	394.241
Molweight	394.241
MonoisotopicMass	392.985399
CLogP	3.5854
CLogS	-6.383
H Acceptors	7
H Donors	1
TotalSurfaceArea	276.23
Relative PSA	0.34917
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	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	10
Electronegative Atoms	10
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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