5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
Formula:C15H10O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one is a drug-like molecule.
| MolName | 5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one |
| MolecularFormula | C15H10O4 |
| Smiles | Oc(cc1)ccc1C1=COc(cccc2O)c2C1=O |
| InChI | InChI=1S/C15H10O4/c16-10-6-4-9(5-7-10)11-8-19-13-3-1-2-12(17)14(13)15(11)18/h1-8,16-17H |
| InChIK | GTKATHVTDOTYMV-UHFFFAOYSA-N |
| TotalMolweight | 254.24 |
| Molweight | 254.24 |
| MonoisotopicMass | 254.05791 |
| CLogP | 1.9729 |
| CLogS | -3.023 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 184.68 |
| Relative PSA | 0.26662 |
| PolarSurfaceArea | 66.76 |
| Druglikeness | -0.093853 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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