(5E)-3-(4-chlorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C18H12NO3ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-(4-chlorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-3-(4-chlorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C18H12NO3ClS2 |
| Smiles | O=C(/C(/SC1=S)=C\c(cc2)cc3c2OCCO3)N1c(cc1)ccc1Cl |
| InChI | InChI=1S/C18H12ClNO3S2/c19-12-2-4-13(5-3-12)20-17(21)16(25-18(20)24)10-11-1-6-14-15(9-11)23-8-7-22-14/h1-6,9-10H,7-8H2 |
| InChIK | SAKNCVHTSCGFAH-UHFFFAOYSA-N |
| TotalMolweight | 389.882 |
| Molweight | 389.882 |
| MonoisotopicMass | 388.994711 |
| CLogP | 3.4771 |
| CLogS | -5.901 |
| H Acceptors | 4 |
| TotalSurfaceArea | 271.92 |
| Relative PSA | 0.30185 |
| PolarSurfaceArea | 96.16 |
| Druglikeness | -4.2172 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5E)-3-(4-chlorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-3-(4-chlorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
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