(7-hydroxy-2-oxochromen-4-yl)methyl 5-bromofuran-2-carboxylate
Formula:C15H9O6Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
(7-hydroxy-2-oxochromen-4-yl)methyl 5-bromofuran-2-carboxylate is a drug-like molecule.
| MolName | (7-hydroxy-2-oxochromen-4-yl)methyl 5-bromofuran-2-carboxylate |
| MolecularFormula | C15H9O6Br |
| Smiles | Oc(cc1)cc(O2)c1C(COC(c(o1)ccc1Br)=O)=CC2=O |
| InChI | InChI=1S/C15H9BrO6/c16-13-4-3-11(21-13)15(19)20-7-8-5-14(18)22-12-6-9(17)1-2-10(8)12/h1-6,17H,7H2 |
| InChIK | NLDOUPPNAUDXKP-UHFFFAOYSA-N |
| TotalMolweight | 365.134 |
| Molweight | 365.134 |
| MonoisotopicMass | 363.958251 |
| CLogP | 2.2429 |
| CLogS | -3.155 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 228.16 |
| Relative PSA | 0.32122 |
| PolarSurfaceArea | 85.97 |
| Druglikeness | -4.4188 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| StereoCon |
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