(4Z)-4-[(4-bromophenyl)methylidene]-2-cyclohexyl-1,3-oxazol-5-one
Formula:C16H16NO2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-[(4-bromophenyl)methylidene]-2-cyclohexyl-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-4-[(4-bromophenyl)methylidene]-2-cyclohexyl-1,3-oxazol-5-one |
| MolecularFormula | C16H16NO2Br |
| Smiles | O=C1OC(C2CCCCC2)=N/C1=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C16H16BrNO2/c17-13-8-6-11(7-9-13)10-14-16(19)20-15(18-14)12-4-2-1-3-5-12/h6-10,12H,1-5H2 |
| InChIK | NWDMHFORMZVMOX-UHFFFAOYSA-N |
| TotalMolweight | 334.212 |
| Molweight | 334.212 |
| MonoisotopicMass | 333.03644 |
| CLogP | 3.2426 |
| CLogS | -4.909 |
| H Acceptors | 3 |
| TotalSurfaceArea | 221.62 |
| Relative PSA | 0.1559 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -5.2148 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| StereoCon |
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