Mol Weight - 595.002
Smiles - CCCCCCCCCCCCCCCCCC(OCCOC(CCCCCCCCCCCCCCCCC)=O)=O
| Property Name | Property Value |
| Mol Name | Ethylene Glycol Distearate |
| Molweight | 595.002 |
| Monoisotopic Mass | 594.55871 |
| Clogp | 14.634 |
| Clogs | -9.43 |
| H Acceptors | 4 |
| Total Surface Area | 561.36 |
| Relative Psa | 0.082086 |
| Polar Surface Area | 52.6 |
| Druglikeness | -33.132 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.95238 |
| Molecular Flexibility | 0.57284 |
| Molecular Complexity | 0.55002 |
| Fragments | 1 |
| Non H Atoms | 42 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bonds | 37 |
| Sp3 Atoms | 38 |
| Symmetric Atoms | 21 |
| Smiles | CCCCCCCCCCCCCCCCCC(OCCOC(CCCCCCCCCCCCCCCCC)=O)=O |
| InChIKey | InChI=1S/C38H74O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(39)41-35-36-42-38(40)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3 |
| InChI | FPVVYTCTZKCSOJ-UHFFFAOYSA-N |
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1 — Ethylene Glycol Distearate | 2 — Ethylene Glycol Distearate