(5E)-3-(oxolan-2-ylmethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
Formula:C13H13NO2S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-(oxolan-2-ylmethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-3-(oxolan-2-ylmethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one |
| MolecularFormula | C13H13NO2S3 |
| Smiles | O=C(/C(/S1)=C\c2cccs2)N(CC2OCCC2)C1=S |
| InChI | InChI=1S/C13H13NO2S3/c15-12-11(7-10-4-2-6-18-10)19-13(17)14(12)8-9-3-1-5-16-9/h2,4,6-7,9H,1,3,5,8H2/t9-/m1/s1 |
| InChIK | YTSZOJKTVYQDKG-SECBINFHSA-N |
| TotalMolweight | 311.449 |
| Molweight | 311.449 |
| MonoisotopicMass | 311.010839 |
| CLogP | 1.5635 |
| CLogS | -3.833 |
| H Acceptors | 3 |
| TotalSurfaceArea | 222.7 |
| Relative PSA | 0.41509 |
| PolarSurfaceArea | 115.17 |
| Druglikeness | 3.2801 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 8 |
| Amides | 1 |
| StereoCon | racemate |
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