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C18H13NO3S2 | Cheminformatics
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(5E)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one

Molecular Formula : C18H13NO3S2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(5E)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName : (5E)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one

MolecularFormula : C18H13NO3S2

Smiles : O=C(/C(/SC1=S)=C\c(cc2)cc3c2OCCO3)N1c1ccccc1

InChI : InChI=1S/C18H13NO3S2/c20-17-16(24-18(23)19(17)13-4-2-1-3-5-13)11-12-6-7-14-15(10-12)22-9-8-21-14/h1-7,10-11H,8-9H2

InChIK : DOIGPMHAISSURH-UHFFFAOYSA-N

TotalMolweight : 355.437

Molweight : 355.437

MonoisotopicMass : 355.033684

CLogP : 2.8711

CLogS : -5.165

H Acceptors : 4

TotalSurfaceArea : 256.5

Relative PSA : 0.32

PolarSurfaceArea : 96.16

Druglikeness : -4.2899

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.58333

Fragments : 1

Non HAtoms : 24

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 2

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 6

Symmetricatoms : 2

Amides : 1

StereoCon :

Click to Load Molecule:
1 - (5E)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
2 - (5E)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
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