Chemical Name - 4-Aminoacetophenone
Mol Weight - 135.165
Smiles - CC(c(cc1)ccc1N)=O
Mol Weight - 135.165
Smiles - CC(c(cc1)ccc1N)=O
| Property Value | |
| Mol Name | 4-Aminoacetophenone |
| Molweight | 135.165 |
| Monoisotopic Mass | 135.068414 |
| Clogp | 0.8535 |
| Clogs | -2.376 |
| H Acceptors | 2 |
| H Donors | 1 |
| Total Surface Area | 111.79 |
| Relative Psa | 0.25324 |
| Polar Surface Area | 43.09 |
| Druglikeness | -1.6316 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.7 |
| Molecular Flexibility | 0.3819 |
| Molecular Complexity | 0.57807 |
| Fragments | 1 |
| Non H Atoms | 10 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 1 |
| Symmetric Atoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Smiles | CC(c(cc1)ccc1N)=O |
| InChIKey | InChI=1S/C8H9NO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,9H2,1H3 |
| InChI | GPRYKVSEZCQIHD-UHFFFAOYSA-N |
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