N-[7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-iodobenzamide
Formula:C22H15NO4ClI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-iodobenzamide is not a drug-like molecule.
| MolName | N-[7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-iodobenzamide |
| MolecularFormula | C22H15NO4ClI |
| Smiles | O=C(c(cccc1)c1Cl)c(cc1OCCOc1c1)c1NC(c(cccc1)c1I)=O |
| InChI | InChI=1S/C22H15ClINO4/c23-16-7-3-1-5-13(16)21(26)15-11-19-20(29-10-9-28-19)12-18(15)25-22(27)14-6-2-4-8-17(14)24/h1-8,11-12H,9-10H2,(H,25,27) |
| InChIK | DUTCUJCSHVAXED-UHFFFAOYSA-N |
| TotalMolweight | 519.717 |
| Molweight | 519.717 |
| MonoisotopicMass | 518.973434 |
| CLogP | 4.959 |
| CLogS | -7.162 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 315.46 |
| Relative PSA | 0.1824 |
| PolarSurfaceArea | 64.63 |
| Druglikeness | -5.3379 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44828 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-iodobenzamide | 2 - N-[7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-iodobenzamide
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