N-(4-bromophenyl)-2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetamide
Formula:C23H16NO5Br
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-(4-bromophenyl)-2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetamide is a drug-like molecule.
| MolName | N-(4-bromophenyl)-2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetamide |
| MolecularFormula | C23H16NO5Br |
| Smiles | Oc1cc(OCC(Nc(cc2)ccc2Br)=O)cc(OC(c2ccccc2)=C2)c1C2=O |
| InChI | InChI=1S/C23H16BrNO5/c24-15-6-8-16(9-7-15)25-22(28)13-29-17-10-18(26)23-19(27)12-20(30-21(23)11-17)14-4-2-1-3-5-14/h1-12,26H,13H2,(H,25,28) |
| InChIK | WHMLTTKUXSPHKB-UHFFFAOYSA-N |
| TotalMolweight | 466.286 |
| Molweight | 466.286 |
| MonoisotopicMass | 465.021185 |
| CLogP | 4.4747 |
| CLogS | -5.574 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 309.69 |
| Relative PSA | 0.2281 |
| PolarSurfaceArea | 84.86 |
| Druglikeness | 0.33822 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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