2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide

Formula:C23H16N6O3Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide is not a drug-like molecule.

MolName	2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
MolecularFormula	C23H16N6O3Cl2S
Smiles	[O-][N+](c1ccc(/C=N\NC(CSc2nnc(-c(cc3)ccc3Cl)n2-c(cc2)ccc2Cl)=O)cc1)=O
InChI	InChI=1S/C23H16Cl2N6O3S/c24-17-5-3-16(4-6-17)22-28-29-23(30(22)19-11-7-18(25)8-12-19)35-14-21(32)27-26-13-15-1-9-20(10-2-15)31(33)34/h1-13H,14H2,(H,27,32)
InChIK	VUPNMGJMTBHWIO-UHFFFAOYSA-N
TotalMolweight	527.391
Molweight	527.391
MonoisotopicMass	526.038163
CLogP	4.8222
CLogS	-10.348
H Acceptors	9
H Donors	1
TotalSurfaceArea	378.99
Relative PSA	0.29745
PolarSurfaceArea	143.29
Druglikeness	0.3391
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.57143
Fragments	1
Non HAtoms	35
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	6
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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1 - 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide | 2 - 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide

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