[4-[(Z)-[2-(2-fluorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] 4-fluorobenzenesulfonate
Formula:C22H13NO5F2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[2-(2-fluorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] 4-fluorobenzenesulfonate is a drug-like molecule.
| MolName | [4-[(Z)-[2-(2-fluorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] 4-fluorobenzenesulfonate |
| MolecularFormula | C22H13NO5F2S |
| Smiles | O=C1OC(c(cccc2)c2F)=N/C1=C\c(cc1)ccc1OS(c(cc1)ccc1F)(=O)=O |
| InChI | InChI=1S/C22H13F2NO5S/c23-15-7-11-17(12-8-15)31(27,28)30-16-9-5-14(6-10-16)13-20-22(26)29-21(25-20)18-3-1-2-4-19(18)24/h1-13H |
| InChIK | WOLATHWFPIIVBS-UHFFFAOYSA-N |
| TotalMolweight | 441.409 |
| Molweight | 441.409 |
| MonoisotopicMass | 441.04825 |
| CLogP | 3.6723 |
| CLogS | -5.321 |
| H Acceptors | 6 |
| TotalSurfaceArea | 305.99 |
| Relative PSA | 0.23899 |
| PolarSurfaceArea | 90.41 |
| Druglikeness | -0.90905 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - [4-[(Z)-[2-(2-fluorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] 4-fluorobenzenesulfonate | 2 - [4-[(Z)-[2-(2-fluorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] 4-fluorobenzenesulfonate
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