Mol Weight - 416.596
Smiles - CCCCCC[C@H](C/C=CCCCCCCCC(OCC(CO)(CO)CO)=O)O
| Property Name | Property Value |
| Mol Name | Pentaerythritol Mono Ricinoleate |
| Molweight | 416.596 |
| Monoisotopic Mass | 416.31379 |
| Clogp | 4.9899 |
| Clogs | -3.666 |
| H Acceptors | 6 |
| H Donors | 4 |
| Total Surface Area | 362.24 |
| Relative Psa | 0.20826 |
| Polar Surface Area | 107.22 |
| Druglikeness | -30.356 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.7931 |
| Molecular Flexibility | 0.65549 |
| Molecular Complexity | 0.52337 |
| Fragments | 1 |
| Non H Atoms | 29 |
| Non Ch Atoms | 6 |
| Electronegative Atoms | 6 |
| Stereo Centers | 1 |
| Rotatable Bonds | 21 |
| Sp3 Atoms | 25 |
| Symmetric Atoms | 4 |
| Smiles | CCCCCC[C@H](C/C=CCCCCCCCC(OCC(CO)(CO)CO)=O)O |
| InChIKey | |
| InChI | C23H44O6 |
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1 — Pentaerythritol Mono Ricinoleate | 2 — Pentaerythritol Mono Ricinoleate