Chemical Name - Ascorbic acid
Mol Weight - 176.124
Smiles - OC[C@@H]([C@H](C(O)=C1O)OC1=O)O
Mol Weight - 176.124
Smiles - OC[C@@H]([C@H](C(O)=C1O)OC1=O)O
| Property Value | |
| Mol Name | Ascorbic acid |
| Molweight | 176.124 |
| Monoisotopic Mass | 176.03209 |
| Clogp | -2.4646 |
| Clogs | -0.349 |
| H Acceptors | 6 |
| H Donors | 4 |
| Total Surface Area | 114.83 |
| Relative Psa | 0.65697 |
| Polar Surface Area | 107.22 |
| Druglikeness | 0.023806 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.58333 |
| Molecular Flexibility | 0.40905 |
| Molecular Complexity | 0.74811 |
| Fragments | 1 |
| Non H Atoms | 12 |
| Non Ch Atoms | 6 |
| Electronegative Atoms | 6 |
| Stereo Centers | 2 |
| Rotatable Bonds | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3 Atoms | 8 |
| Smiles | OC[C@@H]([C@H](C(O)=C1O)OC1=O)O |
| InChIKey | InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5-/m0/s1 |
| InChI | CIWBSHSKHKDKBQ-VHUNDSFISA-N |
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