Chemical Name - Danazol
Mol Weight - 337.461
Smiles - C[C@](CC1)([C@@H](CC2)[C@H](CC3)[C@H]1[C@@](C)(C1)C3=Cc3c1cno3)[C@@]2(C#C)O
Mol Weight - 337.461
Smiles - C[C@](CC1)([C@@H](CC2)[C@H](CC3)[C@H]1[C@@](C)(C1)C3=Cc3c1cno3)[C@@]2(C#C)O
| Property Value | |
| Mol Name | Danazol |
| Molweight | 337.461 |
| Monoisotopic Mass | 337.204179 |
| Clogp | 3.4638 |
| Clogs | -4.884 |
| H Acceptors | 3 |
| H Donors | 1 |
| Total Surface Area | 252.15 |
| Relative Psa | 0.15142 |
| Polar Surface Area | 46.26 |
| Druglikeness | 2.0688 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.48 |
| Molecular Flexibility | 0.12405 |
| Molecular Complexity | 0.96444 |
| Fragments | 1 |
| Non H Atoms | 25 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Stereo Centers | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3 Atoms | 16 |
| Aromatic Nitrogens | 1 |
| Smiles | C[C@](CC1)([C@@H](CC2)[C@H](CC3)[C@H]1[C@@](C)(C1)C3=Cc3c1cno3)[C@@]2(C#C)O |
| InChIKey | |
| InChI | C22H27NO2 |
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