Mol Weight - 315.047
Smiles - [O-][N+](CP(O)(O)=O)(CP(O)(O)=O)CP(O)(O)=O
| Property Name | Property Value |
| Mol Name | Tris(phosphonomethyl)amineN-oxide |
| Molweight | 315.047 |
| Monoisotopic Mass | 314.96741 |
| Clogp | -11.867 |
| Clogs | 3.223 |
| H Acceptors | 11 |
| H Donors | 6 |
| Total Surface Area | 176.36 |
| Relative Psa | 0.76593 |
| Polar Surface Area | 219.09 |
| Druglikeness | -15.455 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.41176 |
| Molecular Flexibility | 0.89585 |
| Molecular Complexity | 0.60279 |
| Fragments | 1 |
| Non H Atoms | 17 |
| Non Ch Atoms | 14 |
| Electronegative Atoms | 14 |
| Rotatable Bonds | 6 |
| Sp3 Atoms | 14 |
| Symmetric Atoms | 11 |
| Acidic Oxygens | 7 |
| Smiles | [O-][N+](CP(O)(O)=O)(CP(O)(O)=O)CP(O)(O)=O |
| InChIKey | InChI=1S/C3H12NO10P3/c5-4(1-15(6,7)8,2-16(9,10)11)3-17(12,13)14/h1-3H2,(H2,6,7,8)(H2,9,10,11)(H2,12,13,14) |
| InChI | RJDKJZWFJWJOOI-UHFFFAOYSA-N |
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1 — Tris(phosphonomethyl)amineN-oxide | 2 — Tris(phosphonomethyl)amineN-oxide