Mol Weight - 193.201
Smiles - CC(c(ccc(NC(C)=O)c1)c1O)=O
InChI - ZSSHNMZQDWSUJJ-UHFFFAOYSA-N
InChIKey - InChI=1S/C10H11NO3/c1-6(12)9-4-3-8(5-10(9)14)11-7(2)13/h3-5,14H,1-2H3,(H,11,13)
| Property Name | Property Value |
| Mol Name | N-(4-acetyl-3-hydroxy phenyl)acetamide |
| Molweight | 193.201 |
| Monoisotopic Mass | 193.073894 |
| Clogp | 0.8888 |
| Clogs | -2.346 |
| H Acceptors | 4 |
| H Donors | 2 |
| Total Surface Area | 151.09 |
| Relative Psa | 0.33516 |
| Polar Surface Area | 66.4 |
| Druglikeness | 0.51365 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.64286 |
| Molecular Flexibility | 0.41205 |
| Molecular Complexity | 0.62239 |
| Fragments | 1 |
| Non H Atoms | 14 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bonds | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 3 |
| Amides | 1 |
| Smiles | CC(c(ccc(NC(C)=O)c1)c1O)=O |
| InChIKey | InChI=1S/C10H11NO3/c1-6(12)9-4-3-8(5-10(9)14)11-7(2)13/h3-5,14H,1-2H3,(H,11,13) |
| InChI | ZSSHNMZQDWSUJJ-UHFFFAOYSA-N |
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1 — N-(4-acetyl-3-hydroxy phenyl)acetamide | 2 — N-(4-acetyl-3-hydroxy phenyl)acetamide