(5Z)-3-(1,3-benzodioxol-5-yl)-2-imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
Formula:C15H10N2O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(1,3-benzodioxol-5-yl)-2-imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-(1,3-benzodioxol-5-yl)-2-imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one |
| MolecularFormula | C15H10N2O3S2 |
| Smiles | N=C(N(C1=O)c(cc2)cc3c2OCO3)S/C1=C\c1cccs1 |
| InChI | InChI=1S/C15H10N2O3S2/c16-15-17(9-3-4-11-12(6-9)20-8-19-11)14(18)13(22-15)7-10-2-1-5-21-10/h1-7,16H,8H2 |
| InChIK | BAAFJECTGTYGQH-UHFFFAOYSA-N |
| TotalMolweight | 330.387 |
| Molweight | 330.387 |
| MonoisotopicMass | 330.013283 |
| CLogP | 2.8165 |
| CLogS | -4.533 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 226.28 |
| Relative PSA | 0.39791 |
| PolarSurfaceArea | 116.16 |
| Druglikeness | 4.0015 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Amides | 1 |
| StereoCon |
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