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

Formula:C19H15N3O8 Mutagenic:none Tumorigenic:none Reproductive Effective:low (4E)-1-(2-hydroxyethyl)-4-[hydroxy-(4-nitrophenyl)methylidene]-5-(2-nitrophenyl)pyrrolidine-2,3-dione is not a drug-like molecule.

MolName	(4E)-1-(2-hydroxyethyl)-4-[hydroxy-(4-nitrophenyl)methylidene]-5-(2-nitrophenyl)pyrrolidine-2,3-dione
MolecularFormula	C19H15N3O8
Smiles	[O-][N+](c(cc1)ccc1/C(/O)=C(/C(c(cccc1)c1[N+]([O-])=O)N(CCO)C1=O)\C1=O)=O
InChI	InChI=1S/C19H15N3O8/c23-10-9-20-16(13-3-1-2-4-14(13)22(29)30)15(18(25)19(20)26)17(24)11-5-7-12(8-6-11)21(27)28/h1-8,16,23-24H,9-10H2/t16-/m1/s1
InChIK	YDNMMRXVQNNNHG-MRXNPFEDSA-N
TotalMolweight	413.341
Molweight	413.341
MonoisotopicMass	413.085917
CLogP	-0.4245
CLogS	-2.861
H Acceptors	11
H Donors	2
TotalSurfaceArea	288.3
Relative PSA	0.40468
PolarSurfaceArea	169.48
Druglikeness	-4.3834
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.43333
Fragments	1
Non HAtoms	30
NonCHAtoms	11
Electronegative Atoms	11
StereoCenters	1
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	2
Amides	1
AcidicOxygens	2
StereoCon	racemate

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