7-hydroxy-3-(1,2-oxazol-3-yl)chromen-4-one
Formula:C12H7NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
7-hydroxy-3-(1,2-oxazol-3-yl)chromen-4-one is a drug-like molecule.
| MolName | 7-hydroxy-3-(1,2-oxazol-3-yl)chromen-4-one |
| MolecularFormula | C12H7NO4 |
| Smiles | Oc(cc1)cc(OC=C2c3nocc3)c1C2=O |
| InChI | InChI=1S/C12H7NO4/c14-7-1-2-8-11(5-7)16-6-9(12(8)15)10-3-4-17-13-10/h1-6,14H |
| InChIK | DGVVASNCPSUCPC-UHFFFAOYSA-N |
| TotalMolweight | 229.191 |
| Molweight | 229.191 |
| MonoisotopicMass | 229.037509 |
| CLogP | 0.7829 |
| CLogS | -2.44 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 166.78 |
| Relative PSA | 0.36707 |
| PolarSurfaceArea | 72.56 |
| Druglikeness | 1.5354 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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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