Chemical Name - 2-Hydroxy-2-methyl-propanenitrile
Mol Weight - 85.1056
Smiles - CC(C)(C#N)O
Mol Weight - 85.1056
Smiles - CC(C)(C#N)O
| Property Value | |
| Mol Name | 2-Hydroxy-2-methyl-propanenitrile |
| Molweight | 85.1056 |
| Monoisotopic Mass | 85.052764 |
| Clogp | 0.036 |
| Clogs | -1.112 |
| H Acceptors | 2 |
| H Donors | 1 |
| Total Surface Area | 76.49 |
| Relative Psa | 0.34854 |
| Polar Surface Area | 44.02 |
| Druglikeness | -8.5149 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | high |
| Shape Index | 0.66667 |
| Molecular Complexity | 0.69315 |
| Fragments | 1 |
| Non H Atoms | 6 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Sp3 Atoms | 4 |
| Symmetric Atoms | 1 |
| Smiles | CC(C)(C#N)O |
| InChIKey | InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3 |
| InChI | MWFMGBPGAXYFAR-UHFFFAOYSA-N |
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1 - 2-Hydroxy-2-methyl-propanenitrile
2 - 2-Hydroxy-2-methyl-propanenitrile
1 - 2-Hydroxy-2-methyl-propanenitrile
2 - 2-Hydroxy-2-methyl-propanenitrile
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