N-[(Z)-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

Formula:C20H16N8O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is not a drug-like molecule.

MolName	N-[(Z)-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
MolecularFormula	C20H16N8O3S
Smiles	[O-][N+](c(cc1)ccc1-c(c(/C=N\NC(CSc1ncn[nH]1)=O)c1)nn1-c1ccccc1)=O
InChI	InChI=1S/C20H16N8O3S/c29-18(12-32-20-21-13-23-25-20)24-22-10-15-11-27(16-4-2-1-3-5-16)26-19(15)14-6-8-17(9-7-14)28(30)31/h1-11,13H,12H2,(H,24,29)(H,21,23,25)
InChIK	WXINJXRIUYPPKC-UHFFFAOYSA-N
TotalMolweight	448.466
Molweight	448.466
MonoisotopicMass	448.106607
CLogP	1.4238
CLogS	-4.955
H Acceptors	11
H Donors	2
TotalSurfaceArea	336.48
Relative PSA	0.40921
PolarSurfaceArea	171.97
Druglikeness	1.5147
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	3
Symmetricatoms	4
Aromatic Nitrogens	5
AcidicOxygens	1
StereoCon

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