(4E)-4-[hydroxy(pyridin-4-yl)methylidene]-5-(3-nitrophenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione

Formula:C19H12N4O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-4-[hydroxy(pyridin-4-yl)methylidene]-5-(3-nitrophenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione is a drug-like molecule.

MolName	(4E)-4-[hydroxy(pyridin-4-yl)methylidene]-5-(3-nitrophenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
MolecularFormula	C19H12N4O5S
Smiles	[O-][N+](c1cccc(C(/C(/C(C2=O)=O)=C(/c3ccncc3)\O)N2c2nccs2)c1)=O
InChI	InChI=1S/C19H12N4O5S/c24-16(11-4-6-20-7-5-11)14-15(12-2-1-3-13(10-12)23(27)28)22(18(26)17(14)25)19-21-8-9-29-19/h1-10,15,24H/t15-/m1/s1
InChIK	ZJMAJIVMTKSTNC-OAHLLOKOSA-N
TotalMolweight	408.393
Molweight	408.393
MonoisotopicMass	408.052841
CLogP	1.1371
CLogS	-3.391
H Acceptors	9
H Donors	1
TotalSurfaceArea	283.98
Relative PSA	0.40654
PolarSurfaceArea	157.45
Druglikeness	-4.8719
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.41379
Fragments	1
Non HAtoms	29
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	1
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon	racemate

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