[3-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] naphthalene-2-sulfonate
Formula:C20H13NO4S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] naphthalene-2-sulfonate is a drug-like molecule.
| MolName | [3-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] naphthalene-2-sulfonate |
| MolecularFormula | C20H13NO4S3 |
| Smiles | O=C(/C(/S1)=C/c2cccc(OS(c3cc4ccccc4cc3)(=O)=O)c2)NC1=S |
| InChI | InChI=1S/C20H13NO4S3/c22-19-18(27-20(26)21-19)11-13-4-3-7-16(10-13)25-28(23,24)17-9-8-14-5-1-2-6-15(14)12-17/h1-12H,(H,21,22,26) |
| InChIK | RDNLDEBUUPFGFH-UHFFFAOYSA-N |
| TotalMolweight | 427.524 |
| Molweight | 427.524 |
| MonoisotopicMass | 427.000669 |
| CLogP | 3.2175 |
| CLogS | -5.88 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 296.82 |
| Relative PSA | 0.36578 |
| PolarSurfaceArea | 138.24 |
| Druglikeness | 0.53848 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| Symmetricatoms | 1 |
| Amides | 1 |
| StereoCon |
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1 - [3-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] naphthalene-2-sulfonate | 2 - [3-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] naphthalene-2-sulfonate
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