Chemical Name - Tapentadol
Mol Weight - 221.343
Smiles - CC[C@H]([C@@H](C)CN(C)C)c1cccc(O)c1
Mol Weight - 221.343
Smiles - CC[C@H]([C@@H](C)CN(C)C)c1cccc(O)c1
| Property Value | |
| Mol Name | Tapentadol |
| Molweight | 221.343 |
| Monoisotopic Mass | 221.177964 |
| Clogp | 2.9215 |
| Clogs | -2.014 |
| H Acceptors | 2 |
| H Donors | 1 |
| Total Surface Area | 191.47 |
| Relative Psa | 0.086959 |
| Polar Surface Area | 23.47 |
| Druglikeness | 4.4515 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.5625 |
| Molecular Flexibility | 0.59196 |
| Molecular Complexity | 0.63799 |
| Fragments | 1 |
| Non H Atoms | 16 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Stereo Centers | 2 |
| Rotatable Bonds | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 10 |
| Symmetric Atoms | 1 |
| Amines | 1 |
| Alkyl Amines | 1 |
| Basic Nitrogens | 1 |
| Smiles | CC[C@H]([C@@H](C)CN(C)C)c1cccc(O)c1 |
| InChIKey | |
| InChI | C14H23NO |
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