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MolName : (4Z)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(3-nitrophenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione

MolecularFormula : C23H16N3O5F

Smiles : [O-][N+](c1cccc(C(/C(/C2=O)=C(\c(cc3)ccc3F)/O)N(Cc3cnccc3)C2=O)c1)=O

InChI : InChI=1S/C23H16FN3O5/c24-17-8-6-15(7-9-17)21(28)19-20(16-4-1-5-18(11-16)27(31)32)26(23(30)22(19)29)13-14-3-2-10-25-12-14/h1-12,20,28H,13H2/t20-/m1/s1

InChIK : ZEHYJJVBOMQJCZ-HXUWFJFHSA-N

TotalMolweight : 433.394

Molweight : 433.394

MonoisotopicMass : 433.1074

CLogP : 1.5355

CLogS : -3.45

H Acceptors : 8

H Donors : 1

TotalSurfaceArea : 309.39

Relative PSA : 0.27189

PolarSurfaceArea : 116.32

Druglikeness : -5.8704

Mutagenic : none

Tumorigenic : none

Reproductive Effective : low

Irritant : none

Nasty Functions : aromatic nitro

Shape Index : 0.4375

Fragments : 1

Non HAtoms : 32

NonCHAtoms : 9

Electronegative Atoms : 9

StereoCenters : 1

Rotatable Bond : 5

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 4

Symmetricatoms : 2

Amides : 1

Aromatic Nitrogens : 1

AcidicOxygens : 1

StereoCon : racemate