N-[2-(2,3-dimethylphenyl)-1,3-dioxoisoindol-5-yl]acetamide
Formula:C18H16N2O3
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
N-[2-(2,3-dimethylphenyl)-1,3-dioxoisoindol-5-yl]acetamide is a drug-like molecule.
| MolName | N-[2-(2,3-dimethylphenyl)-1,3-dioxoisoindol-5-yl]acetamide |
| MolecularFormula | C18H16N2O3 |
| Smiles | CC(Nc(cc1)cc(C(N2c3c(C)c(C)ccc3)=O)c1C2=O)=O |
| InChI | InChI=1S/C18H16N2O3/c1-10-5-4-6-16(11(10)2)20-17(22)14-8-7-13(19-12(3)21)9-15(14)18(20)23/h4-9H,1-3H3,(H,19,21) |
| InChIK | QAROTLMLPAXLAK-UHFFFAOYSA-N |
| TotalMolweight | 308.336 |
| Molweight | 308.336 |
| MonoisotopicMass | 308.116093 |
| CLogP | 2.8803 |
| CLogS | -4.5 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 231.31 |
| Relative PSA | 0.23401 |
| PolarSurfaceArea | 66.48 |
| Druglikeness | 2.3715 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Amides | 2 |
| StereoCon |
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1 - N-[2-(2,3-dimethylphenyl)-1,3-dioxoisoindol-5-yl]acetamide | 2 - N-[2-(2,3-dimethylphenyl)-1,3-dioxoisoindol-5-yl]acetamide
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