(5Z)-3-(4-hydroxyphenyl)-5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C15H10N2O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(4-hydroxyphenyl)-5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-(4-hydroxyphenyl)-5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C15H10N2O2S2 |
| Smiles | Oc(cc1)ccc1N(C(/C(/S1)=C/c2ncccc2)=O)C1=S |
| InChI | InChI=1S/C15H10N2O2S2/c18-12-6-4-11(5-7-12)17-14(19)13(21-15(17)20)9-10-3-1-2-8-16-10/h1-9,18H |
| InChIK | FPRYDQLTSCDWJM-UHFFFAOYSA-N |
| TotalMolweight | 314.388 |
| Molweight | 314.388 |
| MonoisotopicMass | 314.018368 |
| CLogP | 1.5997 |
| CLogS | -3.916 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 227.59 |
| Relative PSA | 0.37853 |
| PolarSurfaceArea | 110.82 |
| Druglikeness | 2.785 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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