[4-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl] furan-2-carboxylate
Formula:C21H13NO5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl] furan-2-carboxylate is a drug-like molecule.
| MolName | [4-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl] furan-2-carboxylate |
| MolecularFormula | C21H13NO5 |
| Smiles | O=C(c1ccco1)Oc1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1 |
| InChI | InChI=1S/C21H13NO5/c23-20-17(22-19(27-20)15-5-2-1-3-6-15)13-14-8-10-16(11-9-14)26-21(24)18-7-4-12-25-18/h1-13H |
| InChIK | VJQCGMIRQNHCCL-UHFFFAOYSA-N |
| TotalMolweight | 359.336 |
| Molweight | 359.336 |
| MonoisotopicMass | 359.079374 |
| CLogP | 3.211 |
| CLogS | -5.071 |
| H Acceptors | 6 |
| TotalSurfaceArea | 272.15 |
| Relative PSA | 0.26346 |
| PolarSurfaceArea | 78.1 |
| Druglikeness | 0.79224 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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