[2-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl] benzenesulfonate
Formula:C22H15NO5S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
[2-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl] benzenesulfonate is a drug-like molecule.
| MolName | [2-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl] benzenesulfonate |
| MolecularFormula | C22H15NO5S |
| Smiles | O=C1OC(c2ccccc2)=N/C1=C\c(cccc1)c1OS(c1ccccc1)(=O)=O |
| InChI | InChI=1S/C22H15NO5S/c24-22-19(23-21(27-22)16-9-3-1-4-10-16)15-17-11-7-8-14-20(17)28-29(25,26)18-12-5-2-6-13-18/h1-15H |
| InChIK | ILGZWUBCJLJHFR-UHFFFAOYSA-N |
| TotalMolweight | 405.429 |
| Molweight | 405.429 |
| MonoisotopicMass | 405.067094 |
| CLogP | 3.4707 |
| CLogS | -4.693 |
| H Acceptors | 6 |
| TotalSurfaceArea | 293.29 |
| Relative PSA | 0.24934 |
| PolarSurfaceArea | 90.41 |
| Druglikeness | -2.3716 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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 - [2-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl] benzenesulfonate | 2 - [2-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl] benzenesulfonate
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