Chemical Name - Misoprostol
Mol Weight - 382.539
Smiles - CCCCC(C)(C/C=C/[C@H]([C@@H](CCCCCCC(OC)=O)C(C1)=O)[C@@H]1O)O
Mol Weight - 382.539
Smiles - CCCCC(C)(C/C=C/[C@H]([C@@H](CCCCCCC(OC)=O)C(C1)=O)[C@@H]1O)O
| Property Value | |
| Mol Name | Misoprostol |
| Molweight | 382.539 |
| Monoisotopic Mass | 382.271925 |
| Clogp | 4.8535 |
| Clogs | -4.048 |
| H Acceptors | 5 |
| H Donors | 2 |
| Total Surface Area | 320.75 |
| Relative Psa | 0.19417 |
| Polar Surface Area | 83.83 |
| Druglikeness | -23.368 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.7037 |
| Molecular Flexibility | 0.59398 |
| Molecular Complexity | 0.72942 |
| Fragments | 1 |
| Non H Atoms | 27 |
| Non Ch Atoms | 5 |
| Electronegative Atoms | 5 |
| Stereo Centers | 4 |
| Rotatable Bonds | 14 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3 Atoms | 21 |
| Smiles | CCCCC(C)(C/C=C/[C@H]([C@@H](CCCCCCC(OC)=O)C(C1)=O)[C@@H]1O)O |
| InChIKey | |
| InChI | C22H38O5 |
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1 - Misoprostol
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