8-bromo-7-hydroxy-3-(1,2-oxazol-3-yl)chromen-4-one
Formula:C12H6NO4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
8-bromo-7-hydroxy-3-(1,2-oxazol-3-yl)chromen-4-one is a drug-like molecule.
| MolName | 8-bromo-7-hydroxy-3-(1,2-oxazol-3-yl)chromen-4-one |
| MolecularFormula | C12H6NO4Br |
| Smiles | Oc(c(Br)c1OC=C2c3nocc3)ccc1C2=O |
| InChI | InChI=1S/C12H6BrNO4/c13-10-9(15)2-1-6-11(16)7(5-17-12(6)10)8-3-4-18-14-8/h1-5,15H |
| InChIK | CTYHWKAOPGTNCC-UHFFFAOYSA-N |
| TotalMolweight | 308.087 |
| Molweight | 308.087 |
| MonoisotopicMass | 306.94802 |
| CLogP | 1.5081 |
| CLogS | -3.274 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 185.41 |
| Relative PSA | 0.33019 |
| PolarSurfaceArea | 72.56 |
| Druglikeness | -0.25461 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 8-bromo-7-hydroxy-3-(1,2-oxazol-3-yl)chromen-4-one | 2 - 8-bromo-7-hydroxy-3-(1,2-oxazol-3-yl)chromen-4-one
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