(4Z)-4-[(4-bromophenyl)methylidene]-2-pyridin-3-yl-1,3-oxazol-5-one
Formula:C15H9N2O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-[(4-bromophenyl)methylidene]-2-pyridin-3-yl-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-4-[(4-bromophenyl)methylidene]-2-pyridin-3-yl-1,3-oxazol-5-one |
| MolecularFormula | C15H9N2O2Br |
| Smiles | O=C1OC(c2cnccc2)=N/C1=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C15H9BrN2O2/c16-12-5-3-10(4-6-12)8-13-15(19)20-14(18-13)11-2-1-7-17-9-11/h1-9H |
| InChIK | XFMYMLZDHOHHGB-UHFFFAOYSA-N |
| TotalMolweight | 329.152 |
| Molweight | 329.152 |
| MonoisotopicMass | 327.984739 |
| CLogP | 2.3161 |
| CLogS | -3.958 |
| 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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