Chemical Name - Triethylene Glycol
Mol Weight - 150.173
Smiles - OCCOCCOCCO
Mol Weight - 150.173
Smiles - OCCOCCOCCO
| Property Value | |
| Mol Name | Triethylene Glycol |
| Molweight | 150.173 |
| Monoisotopic Mass | 150.08921 |
| Clogp | -1.0612 |
| Clogs | 0.188 |
| H Acceptors | 4 |
| H Donors | 2 |
| Total Surface Area | 128.76 |
| Relative Psa | 0.35881 |
| Polar Surface Area | 58.92 |
| Druglikeness | -20.348 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Shape Index | 1 |
| Molecular Flexibility | 0.73318 |
| Molecular Complexity | 0.34657 |
| Fragments | 1 |
| Non H Atoms | 10 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bonds | 7 |
| Sp3 Atoms | 10 |
| Symmetric Atoms | 5 |
| Smiles | OCCOCCOCCO |
| InChIKey | InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2 |
| InChI | ZIBGPFATKBEMQZ-UHFFFAOYSA-N |
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1 - Triethylene Glycol
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