(4Z)-4-benzylidene-1,3-oxazol-5-one
Formula:C10H7NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-benzylidene-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-4-benzylidene-1,3-oxazol-5-one |
| MolecularFormula | C10H7NO2 |
| Smiles | O=C1OC=N/C1=C\c1ccccc1 |
| InChI | InChI=1S/C10H7NO2/c12-10-9(11-7-13-10)6-8-4-2-1-3-5-8/h1-7H |
| InChIK | IZKYDJIWHDHZOH-UHFFFAOYSA-N |
| TotalMolweight | 173.171 |
| Molweight | 173.171 |
| MonoisotopicMass | 173.047679 |
| CLogP | 0.9453 |
| CLogS | -2.918 |
| H Acceptors | 3 |
| TotalSurfaceArea | 136.98 |
| Relative PSA | 0.25223 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | 0.7505 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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