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C24H17NO6Cl2 | Cheminformatics
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(4E)-5-(2,4-dichlorophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(furan-2-ylmethyl)pyrrolidine-2,3-dione

Molecular Formula : C24H17NO6Cl2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : high |
(4E)-5-(2,4-dichlorophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(furan-2-ylmethyl)pyrrolidine-2,3-dione is a drug-like molecule.

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

MolecularFormula : C24H17NO6Cl2

Smiles : O/C(/c(cc1)cc2c1OCCO2)=C(\C(c(ccc(Cl)c1)c1Cl)N(Cc1ccco1)C1=O)/C1=O

InChI : InChI=1S/C24H17Cl2NO6/c25-14-4-5-16(17(26)11-14)21-20(23(29)24(30)27(21)12-15-2-1-7-31-15)22(28)13-3-6-18-19(10-13)33-9-8-32-18/h1-7,10-11,21,28H,8-9,12H2/t21-/m1/s1

InChIK : ZQCQKBYNVKAZEP-OAQYLSRUSA-N

TotalMolweight : 486.306

Molweight : 486.306

MonoisotopicMass : 485.043293

CLogP : 3.7367

CLogS : -4.807

H Acceptors : 7

H Donors : 1

TotalSurfaceArea : 335.16

Relative PSA : 0.22926

PolarSurfaceArea : 89.21

Druglikeness : -6.5512

Mutagenic : none

Tumorigenic : none

Reproductive Effective : high

Irritant : none

Nasty Functions :

Shape Index : 0.42424

Fragments : 1

Non HAtoms : 33

NonCHAtoms : 9

Electronegative Atoms : 9

StereoCenters : 1

Rotatable Bond : 4

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 3

Aromatic Atoms : 17

Sp3Atoms : 7

Amides : 1

StereoCon : racemate

Click to Load Molecule:
1 - (4E)-5-(2,4-dichlorophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(furan-2-ylmethyl)pyrrolidine-2,3-dione
2 - (4E)-5-(2,4-dichlorophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(furan-2-ylmethyl)pyrrolidine-2,3-dione
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Request More Details | (4E)-5-(2,4-dichlorophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(furan-2-ylmethyl)pyrrolidine-2,3-dione


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