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C12H10N2O3S2 | Cheminformatics
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3-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one

Molecular Formula : C12H10N2O3S2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
3-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName : 3-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one

MolecularFormula : C12H10N2O3S2

Smiles : O=C(CSC1=S)N1/N=C\c(cc1)cc2c1OCCO2

InChI : InChI=1S/C12H10N2O3S2/c15-11-7-19-12(18)14(11)13-6-8-1-2-9-10(5-8)17-4-3-16-9/h1-2,5-6H,3-4,7H2

InChIK : SOTLYXYHEFGMCR-UHFFFAOYSA-N

TotalMolweight : 294.354

Molweight : 294.354

MonoisotopicMass : 294.013283

CLogP : 0.9206

CLogS : -3.447

H Acceptors : 5

TotalSurfaceArea : 210.55

Relative PSA : 0.4445

PolarSurfaceArea : 108.52

Druglikeness : -3.3733

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.57895

Fragments : 1

Non HAtoms : 19

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 2

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 7

StereoCon :

Click to Load Molecule:
1 - 3-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
2 - 3-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
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