4-benzyl-3-(4-chlorophenyl)-7-hydroxychromen-2-one
Formula:C22H15O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
4-benzyl-3-(4-chlorophenyl)-7-hydroxychromen-2-one is a drug-like molecule.
| MolName | 4-benzyl-3-(4-chlorophenyl)-7-hydroxychromen-2-one |
| MolecularFormula | C22H15O3Cl |
| Smiles | Oc(cc1)cc(O2)c1C(Cc1ccccc1)=C(c(cc1)ccc1Cl)C2=O |
| InChI | InChI=1S/C22H15ClO3/c23-16-8-6-15(7-9-16)21-19(12-14-4-2-1-3-5-14)18-11-10-17(24)13-20(18)26-22(21)25/h1-11,13,24H,12H2 |
| InChIK | DNLRVCHWGNMSCA-UHFFFAOYSA-N |
| TotalMolweight | 362.811 |
| Molweight | 362.811 |
| MonoisotopicMass | 362.070972 |
| CLogP | 4.533 |
| CLogS | -4.631 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 265.48 |
| Relative PSA | 0.13613 |
| PolarSurfaceArea | 46.53 |
| Druglikeness | 0.057222 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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