(5E)-3-phenyl-5-(quinolin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C19H12N2OS2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(5E)-3-phenyl-5-(quinolin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-3-phenyl-5-(quinolin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C19H12N2OS2 |
| Smiles | O=C(/C(/SC1=S)=C\c2ccnc3ccccc23)N1c1ccccc1 |
| InChI | InChI=1S/C19H12N2OS2/c22-18-17(24-19(23)21(18)14-6-2-1-3-7-14)12-13-10-11-20-16-9-5-4-8-15(13)16/h1-12H |
| InChIK | HYZLCMOSSFJTFV-UHFFFAOYSA-N |
| TotalMolweight | 348.449 |
| Molweight | 348.449 |
| MonoisotopicMass | 348.039103 |
| CLogP | 3.2083 |
| CLogS | -5.689 |
| H Acceptors | 3 |
| TotalSurfaceArea | 255.84 |
| Relative PSA | 0.28553 |
| PolarSurfaceArea | 90.59 |
| Druglikeness | 2.767 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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