[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzoate
Formula:C17H11NO3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzoate is a drug-like molecule.
| MolName | [4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzoate |
| MolecularFormula | C17H11NO3S2 |
| Smiles | O=C(c1ccccc1)Oc1ccc(/C=C(/C(N2)=O)\SC2=S)cc1 |
| InChI | InChI=1S/C17H11NO3S2/c19-15-14(23-17(22)18-15)10-11-6-8-13(9-7-11)21-16(20)12-4-2-1-3-5-12/h1-10H,(H,18,19,22) |
| InChIK | RDWUBPFAVCEULB-UHFFFAOYSA-N |
| TotalMolweight | 341.41 |
| Molweight | 341.41 |
| MonoisotopicMass | 341.018034 |
| CLogP | 2.5747 |
| CLogS | -4.97 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 251.39 |
| Relative PSA | 0.37006 |
| PolarSurfaceArea | 112.79 |
| Druglikeness | 2.3278 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - [4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzoate | 2 - [4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzoate
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