3-(2,4-dichlorophenoxy)-7-hydroxychromen-4-one
Formula:C15H8O4Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
3-(2,4-dichlorophenoxy)-7-hydroxychromen-4-one is a drug-like molecule.
| MolName | 3-(2,4-dichlorophenoxy)-7-hydroxychromen-4-one |
| MolecularFormula | C15H8O4Cl2 |
| Smiles | Oc(cc1)cc(OC=C2Oc(ccc(Cl)c3)c3Cl)c1C2=O |
| InChI | InChI=1S/C15H8Cl2O4/c16-8-1-4-12(11(17)5-8)21-14-7-20-13-6-9(18)2-3-10(13)15(14)19/h1-7,18H |
| InChIK | ACYPLYZYFPYPNS-UHFFFAOYSA-N |
| TotalMolweight | 323.131 |
| Molweight | 323.131 |
| MonoisotopicMass | 321.979964 |
| CLogP | 3.721 |
| CLogS | -5.222 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 219.17 |
| Relative PSA | 0.21052 |
| PolarSurfaceArea | 55.76 |
| Druglikeness | -0.32427 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| StereoCon |
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