3-[(Z)-pyridin-3-ylmethylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C9H7N3OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(Z)-pyridin-3-ylmethylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | 3-[(Z)-pyridin-3-ylmethylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C9H7N3OS2 |
| Smiles | O=C(CSC1=S)N1/N=C\c1cnccc1 |
| InChI | InChI=1S/C9H7N3OS2/c13-8-6-15-9(14)12(8)11-5-7-2-1-3-10-4-7/h1-5H,6H2 |
| InChIK | FZAAUTBSWARWQN-UHFFFAOYSA-N |
| TotalMolweight | 237.307 |
| Molweight | 237.307 |
| MonoisotopicMass | 237.003052 |
| CLogP | -0.0591 |
| CLogS | -2.47 |
| H Acceptors | 4 |
| TotalSurfaceArea | 175.29 |
| Relative PSA | 0.4824 |
| PolarSurfaceArea | 102.95 |
| Druglikeness | 3.7847 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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