(5Z)-5-[(4-nitro-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C11H6N2O5S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(4-nitro-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(4-nitro-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C11H6N2O5S2 |
| Smiles | [O-][N+](c1c(/C=C(/C(N2)=O)\SC2=S)ccc2c1OCO2)=O |
| InChI | InChI=1S/C11H6N2O5S2/c14-10-7(20-11(19)12-10)3-5-1-2-6-9(18-4-17-6)8(5)13(15)16/h1-3H,4H2,(H,12,14,19) |
| InChIK | SJVJWFLOGIQWQJ-UHFFFAOYSA-N |
| TotalMolweight | 310.31 |
| Molweight | 310.31 |
| MonoisotopicMass | 309.971813 |
| CLogP | 0.334 |
| CLogS | -4.671 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 207.81 |
| Relative PSA | 0.57942 |
| PolarSurfaceArea | 150.77 |
| Druglikeness | -2.7118 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5Z)-5-[(4-nitro-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[(4-nitro-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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