(4Z)-4-[(3-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
Formula:C16H11NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-[(3-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-4-[(3-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one |
| MolecularFormula | C16H11NO3 |
| Smiles | Oc1cccc(/C=C2\N=C(c3ccccc3)OC2=O)c1 |
| InChI | InChI=1S/C16H11NO3/c18-13-8-4-5-11(9-13)10-14-16(19)20-15(17-14)12-6-2-1-3-7-12/h1-10,18H |
| InChIK | LCCCSMWIDMQSNH-UHFFFAOYSA-N |
| TotalMolweight | 265.267 |
| Molweight | 265.267 |
| MonoisotopicMass | 265.073894 |
| CLogP | 2.2461 |
| CLogS | -3.623 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 201.3 |
| Relative PSA | 0.23671 |
| PolarSurfaceArea | 58.89 |
| Druglikeness | 0.88491 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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