(5Z)-5-(furan-2-ylmethylidene)-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C13H13NO3S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-(furan-2-ylmethylidene)-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-(furan-2-ylmethylidene)-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C13H13NO3S2 |
| Smiles | O=C(/C(/S1)=C/c2ccco2)N(CC2OCCC2)C1=S |
| InChI | InChI=1S/C13H13NO3S2/c15-12-11(7-9-3-1-5-16-9)19-13(18)14(12)8-10-4-2-6-17-10/h1,3,5,7,10H,2,4,6,8H2/t10-/m1/s1 |
| InChIK | ZZNXBKIYVRFNAN-SNVBAGLBSA-N |
| TotalMolweight | 295.382 |
| Molweight | 295.382 |
| MonoisotopicMass | 295.033684 |
| CLogP | 0.8856 |
| CLogS | -3.505 |
| H Acceptors | 4 |
| TotalSurfaceArea | 216.45 |
| Relative PSA | 0.3982 |
| PolarSurfaceArea | 100.07 |
| Druglikeness | 2.5796 |
| Mutagenic | high |
| 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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