Mol Weight - 195.217
Smiles - CC(c(cc(c(OC)c1)OC)c1N)=O
| Property Name | Property Value |
| Mol Name | 1-(2-Amino-4,5-Dimethoxyphenyl)Ethanone |
| Molweight | 195.217 |
| Monoisotopic Mass | 195.089544 |
| Clogp | 0.7135 |
| Clogs | -2.412 |
| H Acceptors | 4 |
| H Donors | 1 |
| Total Surface Area | 156.31 |
| Relative Psa | 0.30907 |
| Polar Surface Area | 61.55 |
| Druglikeness | -1.3978 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.57143 |
| Molecular Flexibility | 0.44327 |
| Molecular Complexity | 0.70389 |
| Fragments | 1 |
| Non H Atoms | 14 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bonds | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 5 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Smiles | CC(c(cc(c(OC)c1)OC)c1N)=O |
| InChIKey | InChI=1S/C10H13NO3/c1-6(12)7-4-9(13-2)10(14-3)5-8(7)11/h4-5H,11H2,1-3H3 |
| InChI | KGKWXEGYKGTMAK-UHFFFAOYSA-N |
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1 — 1-(2-Amino-4,5-Dimethoxyphenyl)Ethanone | 2 — 1-(2-Amino-4,5-Dimethoxyphenyl)Ethanone