Mol Weight - 167.207
Smiles - CCc(c(C)ccc1)c1N(O)O
| Property Name | Property Value |
| Mol Name | N,N-Dihydroxyethyl Meta Toluidine |
| Molweight | 167.207 |
| Monoisotopic Mass | 167.094629 |
| Clogp | 2.1644 |
| Clogs | -3.099 |
| H Acceptors | 3 |
| H Donors | 2 |
| Total Surface Area | 134.54 |
| Relative Psa | 0.22112 |
| Polar Surface Area | 43.7 |
| Druglikeness | -2.0242 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Shape Index | 0.5 |
| Molecular Flexibility | 0.38115 |
| Molecular Complexity | 0.70808 |
| Fragments | 1 |
| Non H Atoms | 12 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 6 |
| Symmetric Atoms | 1 |
| Smiles | CCc(c(C)ccc1)c1N(O)O |
| InChIKey | InChI=1S/C9H13NO2/c1-3-8-7(2)5-4-6-9(8)10(11)12/h4-6,11-12H,3H2,1-2H3 |
| InChI | XFTYCBLIRVQTRM-UHFFFAOYSA-N |
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1 — N,N-Dihydroxyethyl Meta Toluidine | 2 — N,N-Dihydroxyethyl Meta Toluidine