Chemical Name - Hyoscine
Mol Weight - 303.357
Smiles - CN1[C@@H](C2)[C@H]3O[C@H]3[C@@H]1CC2OC([C@H](CO)c1ccccc1)=O.[Br]
Mol Weight - 303.357
Smiles - CN1[C@@H](C2)[C@H]3O[C@H]3[C@@H]1CC2OC([C@H](CO)c1ccccc1)=O.[Br]
| Property Value | |
| Mol Name | Hyoscine |
| Molweight | 303.357 |
| Monoisotopic Mass | 303.147059 |
| Clogp | 0.779 |
| Clogs | -2.295 |
| H Acceptors | 5 |
| H Donors | 1 |
| Total Surface Area | 223.35 |
| Relative Psa | 0.25673 |
| Polar Surface Area | 62.3 |
| Druglikeness | 2.875 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.54545 |
| Molecular Flexibility | 0.33384 |
| Molecular Complexity | 0.81435 |
| Fragments | 2 |
| Non H Atoms | 22 |
| Non Ch Atoms | 5 |
| Electronegative Atoms | 5 |
| Stereo Centers | 6 |
| Rotatable Bonds | 5 |
| Rings Closures | 4 |
| Small Rings | 6 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 14 |
| Symmetric Atoms | 2 |
| Amines | 1 |
| Alkyl Amines | 1 |
| Basic Nitrogens | 1 |
| Smiles | CN1[C@@H](C2)[C@H]3O[C@H]3[C@@H]1CC2OC([C@H](CO)c1ccccc1)=O.[Br] |
| InChIKey | InChI=1S/C17H21NO4.BrH/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10;/h2-6,11-16,19H,7-9H2,1H3;1H/t11?,12-,13-,14+,15+,16+;/m1./s1 |
| InChI | WTGQALLALWYDJH-QOTVKIEFSA-N |
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1 - Hyoscine
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