Mol Weight - 358.301
Smiles - O[C@]([C@@](C(c1ccccc1)=O)(C(O)=O)O)(C(c1ccccc1)=O)C(O)=O
| Property Name | Property Value |
| Mol Name | Di-Benzoyl-D-Tartaric Acid |
| Molweight | 358.301 |
| Monoisotopic Mass | 358.06887 |
| Clogp | -0.8418 |
| Clogs | -2.526 |
| H Acceptors | 8 |
| H Donors | 4 |
| Total Surface Area | 250.24 |
| Relative Psa | 0.41784 |
| Polar Surface Area | 149.2 |
| Druglikeness | 0.43809 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | low |
| Shape Index | 0.46154 |
| Molecular Flexibility | 0.64932 |
| Molecular Complexity | 0.9155 |
| Fragments | 1 |
| Non H Atoms | 26 |
| Non Ch Atoms | 8 |
| Electronegative Atoms | 8 |
| Stereo Centers | 2 |
| Rotatable Bonds | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3 Atoms | 6 |
| Symmetric Atoms | 15 |
| Acidic Oxygens | 2 |
| Smiles | O[C@]([C@@](C(c1ccccc1)=O)(C(O)=O)O)(C(c1ccccc1)=O)C(O)=O |
| InChIKey | InChI=1S/C18H14O8/c19-13(11-7-3-1-4-8-11)17(25,15(21)22)18(26,16(23)24)14(20)12-9-5-2-6-10-12/h1-10,25-26H,(H,21,22)(H,23,24)/t17-,18-/m1/s1 |
| InChI | OCQAXYHNMWVLRH-QZTJIDSGSA-N |
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1 — Di-Benzoyl-D-Tartaric Acid | 2 — Di-Benzoyl-D-Tartaric Acid