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MolName : (4E)-1-benzyl-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-phenylpyrrolidine-2,3-dione

MolecularFormula : C26H21NO5

Smiles : O/C(/c(cc1)cc2c1OCCO2)=C(\C(c1ccccc1)N(Cc1ccccc1)C1=O)/C1=O

InChI : InChI=1S/C26H21NO5/c28-24(19-11-12-20-21(15-19)32-14-13-31-20)22-23(18-9-5-2-6-10-18)27(26(30)25(22)29)16-17-7-3-1-4-8-17/h1-12,15,23,28H,13-14,16H2/t23-/m0/s1

InChIK : WVZBSRQLGPRVNV-QHCPKHFHSA-N

TotalMolweight : 427.455

Molweight : 427.455

MonoisotopicMass : 427.141974

CLogP : 3.336

CLogS : -3.653

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 314.63

Relative PSA : 0.19938

PolarSurfaceArea : 76.07

Druglikeness : -6.5779

Mutagenic : none

Tumorigenic : none

Reproductive Effective : high

Irritant : none

Nasty Functions :

Shape Index : 0.46875

Fragments : 1

Non HAtoms : 32

NonCHAtoms : 6

Electronegative Atoms : 6

StereoCenters : 1

Rotatable Bond : 4

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 7

Symmetricatoms : 4

Amides : 1

StereoCon : racemate