(4E)-2-(3-bromophenyl)-4-[(3-chlorophenyl)methylidene]-1,3-oxazol-5-one
Formula:C16H9NO2BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-2-(3-bromophenyl)-4-[(3-chlorophenyl)methylidene]-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4E)-2-(3-bromophenyl)-4-[(3-chlorophenyl)methylidene]-1,3-oxazol-5-one |
| MolecularFormula | C16H9NO2BrCl |
| Smiles | O=C1OC(c2cccc(Br)c2)=N/C1=C/c1cc(Cl)ccc1 |
| InChI | InChI=1S/C16H9BrClNO2/c17-12-5-2-4-11(9-12)15-19-14(16(20)21-15)8-10-3-1-6-13(18)7-10/h1-9H |
| InChIK | XNURUVXAPBULGD-UHFFFAOYSA-N |
| TotalMolweight | 362.609 |
| Molweight | 362.609 |
| MonoisotopicMass | 360.950517 |
| CLogP | 3.923 |
| CLogS | -5.489 |
| H Acceptors | 3 |
| TotalSurfaceArea | 229 |
| Relative PSA | 0.15087 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -0.8589 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| StereoCon |
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