(4,5-diphenyl-1,2,4-triazol-3-yl) (1E)-N-(4-nitroanilino)-2-oxo-2-phenylethanimidothioate

Formula:C28H20N6O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (4,5-diphenyl-1,2,4-triazol-3-yl) (1E)-N-(4-nitroanilino)-2-oxo-2-phenylethanimidothioate is not a drug-like molecule.

MolName	(4,5-diphenyl-1,2,4-triazol-3-yl) (1E)-N-(4-nitroanilino)-2-oxo-2-phenylethanimidothioate
MolecularFormula	C28H20N6O3S
Smiles	[O-][N+](c(cc1)ccc1N/N=C(\C(c1ccccc1)=O)/Sc1nnc(-c2ccccc2)n1-c1ccccc1)=O
InChI	InChI=1S/C28H20N6O3S/c35-25(20-10-4-1-5-11-20)27(31-29-22-16-18-24(19-17-22)34(36)37)38-28-32-30-26(21-12-6-2-7-13-21)33(28)23-14-8-3-9-15-23/h1-19,29H
InChIK	PBSBYHQPPHEEKS-UHFFFAOYSA-N
TotalMolweight	520.572
Molweight	520.572
MonoisotopicMass	520.131759
CLogP	5.5075
CLogS	-8.984
H Acceptors	9
H Donors	1
TotalSurfaceArea	392.36
Relative PSA	0.28731
PolarSurfaceArea	143.29
Druglikeness	-1.1349
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.44737
Fragments	1
Non HAtoms	38
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	2
Symmetricatoms	8
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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