3-(4-bromophenyl)sulfonyl-7-hydroxychromen-2-one
Formula:C15H9O5BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(4-bromophenyl)sulfonyl-7-hydroxychromen-2-one is a drug-like molecule.
| MolName | 3-(4-bromophenyl)sulfonyl-7-hydroxychromen-2-one |
| MolecularFormula | C15H9O5BrS |
| Smiles | Oc(cc1)cc(OC2=O)c1C=C2S(c(cc1)ccc1Br)(=O)=O |
| InChI | InChI=1S/C15H9BrO5S/c16-10-2-5-12(6-3-10)22(19,20)14-7-9-1-4-11(17)8-13(9)21-15(14)18/h1-8,17H |
| InChIK | FHMGYEKBSGTLQJ-UHFFFAOYSA-N |
| TotalMolweight | 381.201 |
| Molweight | 381.201 |
| MonoisotopicMass | 379.935406 |
| CLogP | 2.2483 |
| CLogS | -4.479 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 225.54 |
| Relative PSA | 0.28696 |
| PolarSurfaceArea | 89.05 |
| Druglikeness | -4.1378 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| StereoCon |
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