[1-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]naphthalen-2-yl] benzenesulfonate
Formula:C20H13NO4S3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]naphthalen-2-yl] benzenesulfonate is a drug-like molecule.
| MolName | [1-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]naphthalen-2-yl] benzenesulfonate |
| MolecularFormula | C20H13NO4S3 |
| Smiles | O=C(/C(/S1)=C/c(c2ccccc2cc2)c2OS(c2ccccc2)(=O)=O)NC1=S |
| InChI | InChI=1S/C20H13NO4S3/c22-19-18(27-20(26)21-19)12-16-15-9-5-4-6-13(15)10-11-17(16)25-28(23,24)14-7-2-1-3-8-14/h1-12H,(H,21,22,26) |
| InChIK | WYONRKWWBSIAAR-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 | -4.5334 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.46429 |
| 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 | 3 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [1-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]naphthalen-2-yl] benzenesulfonate | 2 - [1-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]naphthalen-2-yl] benzenesulfonate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off