| MolName | (5Z)-5-benzylidene-3-[(3-chloroanilino)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C17H13N2OClS2 |
| Smiles | O=C(/C(/S1)=C/c2ccccc2)N(CNc2cccc(Cl)c2)C1=S |
| InChI | InChI=1S/C17H13ClN2OS2/c18-13-7-4-8-14(10-13)19-11-20-16(21)15(23-17(20)22)9-12-5-2-1-3-6-12/h1-10,19H,11H2 |
| InChIK | ZZNHESGIFCIKGI-UHFFFAOYSA-N |
| TotalMolweight | 360.888 |
| Molweight | 360.888 |
| MonoisotopicMass | 360.01578 |
| CLogP | 3.1645 |
| CLogS | -5.695 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 263.12 |
| Relative PSA | 0.27949 |
| PolarSurfaceArea | 89.73 |
| Druglikeness | 3.3852 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | methanediamine |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-5-benzylidene-3-[(3-chloroanilino)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-benzylidene-3-[(3-chloroanilino)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one