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MolName : (4E)-1-(furan-2-ylmethyl)-4-[hydroxy-(3-nitrophenyl)methylidene]-5-(3-nitrophenyl)pyrrolidine-2,3-dione

MolecularFormula : C22H15N3O8

Smiles : [O-][N+](c1cccc(C(/C(/C2=O)=C(/c3cccc([N+]([O-])=O)c3)\O)N(Cc3ccco3)C2=O)c1)=O

InChI : InChI=1S/C22H15N3O8/c26-20(14-5-2-7-16(11-14)25(31)32)18-19(13-4-1-6-15(10-13)24(29)30)23(22(28)21(18)27)12-17-8-3-9-33-17/h1-11,19,26H,12H2/t19-/m1/s1

InChIK : NTGWHGIXQGAVCG-LJQANCHMSA-N

TotalMolweight : 449.374

Molweight : 449.374

MonoisotopicMass : 449.085917

CLogP : 0.7027

CLogS : -4.073

H Acceptors : 11

H Donors : 1

TotalSurfaceArea : 317.64

Relative PSA : 0.37048

PolarSurfaceArea : 162.39

Druglikeness : -4.6018

Mutagenic : none

Tumorigenic : none

Reproductive Effective : low

Irritant : none

Nasty Functions : aromatic nitro

Shape Index : 0.39394

Fragments : 1

Non HAtoms : 33

NonCHAtoms : 11

Electronegative Atoms : 11

StereoCenters : 1

Rotatable Bond : 6

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 17

Sp3Atoms : 5

Amides : 1

AcidicOxygens : 2

StereoCon : racemate