Mol Weight - 151.117
Smiles - [O-][N+](C(CO)(CO)CO)=O
| Property Name | Property Value |
| Mol Name | Tris(Hydroxymethyl)nitromethane |
| Molweight | 151.117 |
| Monoisotopic Mass | 151.048074 |
| Clogp | -2.5948 |
| Clogs | 0.13 |
| H Acceptors | 6 |
| H Donors | 3 |
| Total Surface Area | 107.91 |
| Relative Psa | 0.64609 |
| Polar Surface Area | 106.51 |
| Druglikeness | -10.231 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.5 |
| Molecular Flexibility | 0.89239 |
| Molecular Complexity | 0.57565 |
| Fragments | 1 |
| Non H Atoms | 10 |
| Non Ch Atoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bonds | 4 |
| Sp3 Atoms | 8 |
| Symmetric Atoms | 4 |
| Acidic Oxygens | 1 |
| Smiles | [O-][N+](C(CO)(CO)CO)=O |
| InChIKey | InChI=1S/C4H9NO5/c6-1-4(2-7,3-8)5(9)10/h6-8H,1-3H2 |
| InChI | OLQJQHSAWMFDJE-UHFFFAOYSA-N |
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1 — Tris(Hydroxymethyl)nitromethane | 2 — Tris(Hydroxymethyl)nitromethane