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MolName : (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(2-fluorophenyl)-1-(furan-2-ylmethyl)pyrrolidine-2,3-dione

MolecularFormula : C24H18NO6F

Smiles : O/C(/c(cc1)cc2c1OCCO2)=C(\C(c(cccc1)c1F)N(Cc1ccco1)C1=O)/C1=O

InChI : InChI=1S/C24H18FNO6/c25-17-6-2-1-5-16(17)21-20(23(28)24(29)26(21)13-15-4-3-9-30-15)22(27)14-7-8-18-19(12-14)32-11-10-31-18/h1-9,12,21,27H,10-11,13H2/t21-/m1/s1

InChIK : FYMZCJBWYOYFTD-OAQYLSRUSA-N

TotalMolweight : 435.406

Molweight : 435.406

MonoisotopicMass : 435.111817

CLogP : 2.6255

CLogS : -3.649

H Acceptors : 7

H Donors : 1

TotalSurfaceArea : 310.67

Relative PSA : 0.24734

PolarSurfaceArea : 89.21

Druglikeness : -7.9561

Mutagenic : none

Tumorigenic : none

Reproductive Effective : high

Irritant : none

Nasty Functions :

Shape Index : 0.4375

Fragments : 1

Non HAtoms : 32

NonCHAtoms : 8

Electronegative Atoms : 8

StereoCenters : 1

Rotatable Bond : 4

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 3

Aromatic Atoms : 17

Sp3Atoms : 7

Amides : 1

StereoCon : racemate