Mol Weight - 209.241
Smiles - OCCN(CCO)C(CO)(CO)CO
| Property Name | Property Value |
| Mol Name | (2,2-Bis (Hydroxymethyl)-2,2’,2†Nitrilotriethanol) |
| Molweight | 209.241 |
| Monoisotopic Mass | 209.126324 |
| Clogp | -2.8103 |
| Clogs | 1.341 |
| H Acceptors | 6 |
| H Donors | 5 |
| Total Surface Area | 162.28 |
| Relative Psa | 0.4255 |
| Polar Surface Area | 104.39 |
| Druglikeness | -6.2112 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Shape Index | 0.5 |
| Molecular Flexibility | 0.83712 |
| Molecular Complexity | 0.56122 |
| Fragments | 1 |
| Non H Atoms | 14 |
| Non Ch Atoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bonds | 8 |
| Sp3 Atoms | 14 |
| Symmetric Atoms | 7 |
| Amines | 1 |
| Alkyl Amines | 1 |
| Basic Nitrogens | 1 |
| Smiles | OCCN(CCO)C(CO)(CO)CO |
| InChIKey | InChI=1S/C8H19NO5/c10-3-1-9(2-4-11)8(5-12,6-13)7-14/h10-14H,1-7H2 |
| InChI | OWMVSZAMULFTJU-UHFFFAOYSA-N |
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1 — (2,2-Bis (Hydroxymethyl)-2,2’,2†Nitrilotriethanol) | 2 — (2,2-Bis (Hydroxymethyl)-2,2’,2†Nitrilotriethanol)