2-(4-chlorophenyl)-7-hydroxychromen-4-one
Formula:C15H9O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-chlorophenyl)-7-hydroxychromen-4-one is a drug-like molecule.
| MolName | 2-(4-chlorophenyl)-7-hydroxychromen-4-one |
| MolecularFormula | C15H9O3Cl |
| Smiles | Oc(cc1)cc(OC(c(cc2)ccc2Cl)=C2)c1C2=O |
| InChI | InChI=1S/C15H9ClO3/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-8,17H |
| InChIK | OFHGICWRYGZKGX-UHFFFAOYSA-N |
| TotalMolweight | 272.686 |
| Molweight | 272.686 |
| MonoisotopicMass | 272.024022 |
| CLogP | 3.6331 |
| CLogS | -4.184 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 193.75 |
| Relative PSA | 0.18653 |
| PolarSurfaceArea | 46.53 |
| Druglikeness | 0.37786 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| 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 | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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