Chemical Name - Acetazolamide
Mol Weight - 222.249
Smiles - CC(Nc(s1)nnc1S(N)(=O)=O)=O
Mol Weight - 222.249
Smiles - CC(Nc(s1)nnc1S(N)(=O)=O)=O
| Property Value | |
| Mol Name | Acetazolamide |
| Molweight | 222.249 |
| Monoisotopic Mass | 221.988131 |
| Clogp | -0.535 |
| Clogs | -1.636 |
| H Acceptors | 7 |
| H Donors | 2 |
| Total Surface Area | 145.29 |
| Relative Psa | 0.76158 |
| Polar Surface Area | 151.66 |
| Druglikeness | 3.5036 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Shape Index | 0.61538 |
| Molecular Flexibility | 0.39244 |
| Molecular Complexity | 0.71508 |
| Fragments | 1 |
| Non H Atoms | 13 |
| Non Ch Atoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bonds | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3 Atoms | 2 |
| Symmetric Atoms | 1 |
| Amides | 2 |
| Aromatic Nitrogens | 2 |
| Smiles | CC(Nc(s1)nnc1S(N)(=O)=O)=O |
| InChIKey | InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) |
| InChI | BZKPWHYZMXOIDC-UHFFFAOYSA-N |
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