(4E)-2-(4-bromophenyl)-4-(pyridin-2-ylmethylidene)-1,3-oxazol-5-one
Formula:C15H9N2O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-2-(4-bromophenyl)-4-(pyridin-2-ylmethylidene)-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4E)-2-(4-bromophenyl)-4-(pyridin-2-ylmethylidene)-1,3-oxazol-5-one |
| MolecularFormula | C15H9N2O2Br |
| Smiles | O=C1OC(c(cc2)ccc2Br)=N/C1=C/c1ncccc1 |
| InChI | InChI=1S/C15H9BrN2O2/c16-11-6-4-10(5-7-11)14-18-13(15(19)20-14)9-12-3-1-2-8-17-12/h1-9H |
| InChIK | JJDRHWKBNJCZJN-UHFFFAOYSA-N |
| TotalMolweight | 329.152 |
| Molweight | 329.152 |
| MonoisotopicMass | 327.984739 |
| CLogP | 2.3701 |
| CLogS | -3.982 |
| H Acceptors | 4 |
| TotalSurfaceArea | 212.34 |
| Relative PSA | 0.21437 |
| PolarSurfaceArea | 51.55 |
| Druglikeness | -0.95291 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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