Chemical Name - Spironolactone
Mol Weight - 416.58
Smiles - C[C@](CC[C@@H]1[C@@](C)(CC2)C(C3)=CC2=O)([C@@H](CC2)[C@@H]1[C@@H]3SC(C)=O)[C@@]2(CC1)OC1=O
Mol Weight - 416.58
Smiles - C[C@](CC[C@@H]1[C@@](C)(CC2)C(C3)=CC2=O)([C@@H](CC2)[C@@H]1[C@@H]3SC(C)=O)[C@@]2(CC1)OC1=O
| Property Value | |
| Mol Name | Spironolactone |
| Molweight | 416.58 |
| Monoisotopic Mass | 416.20213 |
| Clogp | 3.2098 |
| Clogs | -4.349 |
| H Acceptors | 4 |
| Total Surface Area | 293.3 |
| Relative Psa | 0.22711 |
| Polar Surface Area | 85.74 |
| Druglikeness | -0.62033 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Shape Index | 0.44828 |
| Molecular Flexibility | 0.18937 |
| Molecular Complexity | 1.0033 |
| Fragments | 1 |
| Non H Atoms | 29 |
| Non Ch Atoms | 5 |
| Electronegative Atoms | 5 |
| Stereo Centers | 7 |
| Rotatable Bonds | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Sp3 Atoms | 21 |
| Smiles | C[C@](CC[C@@H]1[C@@](C)(CC2)C(C3)=CC2=O)([C@@H](CC2)[C@@H]1[C@@H]3SC(C)=O)[C@@]2(CC1)OC1=O |
| InChIKey | |
| InChI | C24H32O4S |
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