(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl) (1E)-N-(4-nitroanilino)-2-oxo-2-phenylethanimidothioate

Formula:C21H14N6O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none (5-pyridin-3-yl-1,3,4-oxadiazol-2-yl) (1E)-N-(4-nitroanilino)-2-oxo-2-phenylethanimidothioate is a drug-like molecule.

MolName	(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl) (1E)-N-(4-nitroanilino)-2-oxo-2-phenylethanimidothioate
MolecularFormula	C21H14N6O4S
Smiles	[O-][N+](c(cc1)ccc1N/N=C(\C(c1ccccc1)=O)/Sc1nnc(-c2cnccc2)o1)=O
InChI	InChI=1S/C21H14N6O4S/c28-18(14-5-2-1-3-6-14)20(25-23-16-8-10-17(11-9-16)27(29)30)32-21-26-24-19(31-21)15-7-4-12-22-13-15/h1-13,23H
InChIK	MDYSCBTUDBSNCG-UHFFFAOYSA-N
TotalMolweight	446.446
Molweight	446.446
MonoisotopicMass	446.079724
CLogP	3.4564
CLogS	-5.534
H Acceptors	10
H Donors	1
TotalSurfaceArea	331.85
Relative PSA	0.39458
PolarSurfaceArea	164.39
Druglikeness	-2.0433
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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