Mol Weight - 225.199
Smiles - CC(c(cc(c(OC)c1)OC)c1[N+]([O-])=O)=O
| Property Name | Property Value |
| Mol Name | 1-(4,5-Dimethoxy-2-Nitrophenyl)Ethanone |
| Molweight | 225.199 |
| Monoisotopic Mass | 225.063724 |
| Clogp | 0.4692 |
| Clogs | -2.796 |
| H Acceptors | 6 |
| Total Surface Area | 171.46 |
| Relative Psa | 0.37012 |
| Polar Surface Area | 81.35 |
| Druglikeness | -6.7363 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.5 |
| Molecular Flexibility | 0.49885 |
| Molecular Complexity | 0.77181 |
| Fragments | 1 |
| Non H Atoms | 16 |
| Non Ch Atoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bonds | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 6 |
| Acidic Oxygens | 1 |
| Smiles | CC(c(cc(c(OC)c1)OC)c1[N+]([O-])=O)=O |
| InChIKey | InChI=1S/C10H11NO5/c1-6(12)7-4-9(15-2)10(16-3)5-8(7)11(13)14/h4-5H,1-3H3 |
| InChI | ZVLFGESHYMKNQP-UHFFFAOYSA-N |
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1 — 1-(4,5-Dimethoxy-2-Nitrophenyl)Ethanone | 2 — 1-(4,5-Dimethoxy-2-Nitrophenyl)Ethanone