7-hydroxy-3-(1,2-oxazol-3-yl)-2-(trifluoromethyl)chromen-4-one
Formula:C13H6NO4F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
7-hydroxy-3-(1,2-oxazol-3-yl)-2-(trifluoromethyl)chromen-4-one is a drug-like molecule.
| MolName | 7-hydroxy-3-(1,2-oxazol-3-yl)-2-(trifluoromethyl)chromen-4-one |
| MolecularFormula | C13H6NO4F3 |
| Smiles | Oc(cc1)cc(OC(C(F)(F)F)=C2c3nocc3)c1C2=O |
| InChI | InChI=1S/C13H6F3NO4/c14-13(15,16)12-10(8-3-4-20-17-8)11(19)7-2-1-6(18)5-9(7)21-12/h1-5,18H |
| InChIK | NQZQMTRWHPDKKO-UHFFFAOYSA-N |
| TotalMolweight | 297.188 |
| Molweight | 297.188 |
| MonoisotopicMass | 297.024893 |
| CLogP | 1.9363 |
| CLogS | -3.436 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 194.45 |
| Relative PSA | 0.31484 |
| PolarSurfaceArea | 72.56 |
| Druglikeness | -7.545 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47619 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 7-hydroxy-3-(1,2-oxazol-3-yl)-2-(trifluoromethyl)chromen-4-one | 2 - 7-hydroxy-3-(1,2-oxazol-3-yl)-2-(trifluoromethyl)chromen-4-one
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