[4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] furan-2-carboxylate
Formula:C15H9NO4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] furan-2-carboxylate is a drug-like molecule.
| MolName | [4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] furan-2-carboxylate |
| MolecularFormula | C15H9NO4S2 |
| Smiles | O=C(c1ccco1)Oc1ccc(/C=C(\C(N2)=O)/SC2=S)cc1 |
| InChI | InChI=1S/C15H9NO4S2/c17-13-12(22-15(21)16-13)8-9-3-5-10(6-4-9)20-14(18)11-2-1-7-19-11/h1-8H,(H,16,17,21) |
| InChIK | UTCZVKAVJWCEAK-UHFFFAOYSA-N |
| TotalMolweight | 331.371 |
| Molweight | 331.371 |
| MonoisotopicMass | 330.997299 |
| CLogP | 1.7634 |
| CLogS | -4.652 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 241.08 |
| Relative PSA | 0.44442 |
| PolarSurfaceArea | 125.93 |
| Druglikeness | 2.2674 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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