Chemical Name - Inositol
Mol Weight - 180.155
Smiles - OC(C(C(C(C1O)O)O)O)C1O
Mol Weight - 180.155
Smiles - OC(C(C(C(C1O)O)O)O)C1O
| Property Value | |
| Mol Name | Inositol |
| Molweight | 180.155 |
| Monoisotopic Mass | 180.06339 |
| Clogp | -3.0606 |
| Clogs | 0.244 |
| H Acceptors | 6 |
| H Donors | 6 |
| Total Surface Area | 113.1 |
| Relative Psa | 0.69496 |
| Polar Surface Area | 121.38 |
| Druglikeness | -4.4182 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.5 |
| Molecular Flexibility | 0.38657 |
| Molecular Complexity | 0.6452 |
| Fragments | 1 |
| Non H Atoms | 12 |
| Non Ch Atoms | 6 |
| Electronegative Atoms | 6 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3 Atoms | 12 |
| Symmetric Atoms | 10 |
| Smiles | OC(C(C(C(C1O)O)O)O)C1O |
| InChIKey | InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H |
| InChI | CDAISMWEOUEBRE-UHFFFAOYSA-N |
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