| MolName | 2,4-dichloro-N-(7-hydroxy-2-oxochromen-3-yl)benzamide |
| MolecularFormula | C16H9NO4Cl2 |
| Smiles | Oc(cc1)cc(OC2=O)c1C=C2NC(c(ccc(Cl)c1)c1Cl)=O |
| InChI | InChI=1S/C16H9Cl2NO4/c17-9-2-4-11(12(18)6-9)15(21)19-13-5-8-1-3-10(20)7-14(8)23-16(13)22/h1-7,20H,(H,19,21) |
| InChIK | LXDWFOQLQYYPJI-UHFFFAOYSA-N |
| TotalMolweight | 350.156 |
| Molweight | 350.156 |
| MonoisotopicMass | 348.990863 |
| CLogP | 3.3181 |
| CLogS | -4.921 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 238.38 |
| Relative PSA | 0.25438 |
| PolarSurfaceArea | 75.63 |
| Druglikeness | 2.5353 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 2,4-dichloro-N-(7-hydroxy-2-oxochromen-3-yl)benzamide | 2 - 2,4-dichloro-N-(7-hydroxy-2-oxochromen-3-yl)benzamide