Chemical Name - Paracetamol
Mol Weight - 151.164
Smiles - CC(Nc(cc1)ccc1O)=O
Mol Weight - 151.164
Smiles - CC(Nc(cc1)ccc1O)=O
| Property Value | |
| Mol Name | Paracetamol |
| Molweight | 151.164 |
| Monoisotopic Mass | 151.063329 |
| Clogp | 1.0176 |
| Clogs | -1.662 |
| H Acceptors | 3 |
| H Donors | 2 |
| Total Surface Area | 121.08 |
| Relative Psa | 0.31054 |
| Polar Surface Area | 49.33 |
| Druglikeness | 0.44887 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Shape Index | 0.72727 |
| Molecular Flexibility | 0.32652 |
| Molecular Complexity | 0.58889 |
| Fragments | 1 |
| Non H Atoms | 11 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 2 |
| Symmetric Atoms | 2 |
| Amides | 1 |
| Smiles | CC(Nc(cc1)ccc1O)=O |
| InChIKey | InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10) |
| InChI | RZVAJINKPMORJF-UHFFFAOYSA-N |
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