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

Formula:C25H20N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:low (4E)-4-[hydroxy(phenyl)methylidene]-5-(2-nitrophenyl)-1-(2-phenylethyl)pyrrolidine-2,3-dione is a drug-like molecule.

MolName	(4E)-4-[hydroxy(phenyl)methylidene]-5-(2-nitrophenyl)-1-(2-phenylethyl)pyrrolidine-2,3-dione
MolecularFormula	C25H20N2O5
Smiles	[O-][N+](c1c(C(/C(/C2=O)=C(/c3ccccc3)\O)N(CCc3ccccc3)C2=O)cccc1)=O
InChI	InChI=1S/C25H20N2O5/c28-23(18-11-5-2-6-12-18)21-22(19-13-7-8-14-20(19)27(31)32)26(25(30)24(21)29)16-15-17-9-3-1-4-10-17/h1-14,22,28H,15-16H2/t22-/m1/s1
InChIK	PQSPVEJNFNDEFJ-JOCHJYFZSA-N
TotalMolweight	428.443
Molweight	428.443
MonoisotopicMass	428.137223
CLogP	2.8657
CLogS	-4.043
H Acceptors	7
H Donors	1
TotalSurfaceArea	318.04
Relative PSA	0.23
PolarSurfaceArea	103.43
Druglikeness	-4.3447
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.4375
Fragments	1
Non HAtoms	32
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon	racemate

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