3-[(Z)-naphthalen-1-ylmethylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C14H10N2OS2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
3-[(Z)-naphthalen-1-ylmethylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | 3-[(Z)-naphthalen-1-ylmethylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C14H10N2OS2 |
| Smiles | O=C(CSC1=S)N1/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C14H10N2OS2/c17-13-9-19-14(18)16(13)15-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-8H,9H2 |
| InChIK | FPDYMWRWGSLXLR-UHFFFAOYSA-N |
| TotalMolweight | 286.378 |
| Molweight | 286.378 |
| MonoisotopicMass | 286.023453 |
| CLogP | 2.1362 |
| CLogS | -4.871 |
| H Acceptors | 3 |
| TotalSurfaceArea | 211.13 |
| Relative PSA | 0.34855 |
| PolarSurfaceArea | 90.06 |
| Druglikeness | 3.7847 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.52632 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 3 |
| StereoCon |
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