3-(3-chloro-4-fluorophenyl)sulfonyl-7-hydroxychromen-2-one
Formula:C15H8O5ClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(3-chloro-4-fluorophenyl)sulfonyl-7-hydroxychromen-2-one is a drug-like molecule.
| MolName | 3-(3-chloro-4-fluorophenyl)sulfonyl-7-hydroxychromen-2-one |
| MolecularFormula | C15H8O5ClFS |
| Smiles | Oc(cc1)cc(OC2=O)c1C=C2S(c(cc1)cc(Cl)c1F)(=O)=O |
| InChI | InChI=1S/C15H8ClFO5S/c16-11-7-10(3-4-12(11)17)23(20,21)14-5-8-1-2-9(18)6-13(8)22-15(14)19/h1-7,18H |
| InChIK | GVFGAMRWJRGVAP-UHFFFAOYSA-N |
| TotalMolweight | 354.741 |
| Molweight | 354.741 |
| MonoisotopicMass | 353.9765 |
| CLogP | 2.2299 |
| CLogS | -4.695 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 228.68 |
| Relative PSA | 0.28302 |
| PolarSurfaceArea | 89.05 |
| Druglikeness | -4.9985 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 1 |
| StereoCon |
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