Chemical Name - tert-Butyl carbamate
Mol Weight - 117.147
Smiles - CC(C)(C)OC(N)=O
Mol Weight - 117.147
Smiles - CC(C)(C)OC(N)=O
| Property Value | |
| Mol Name | tert-Butyl carbamate |
| Molweight | 117.147 |
| Monoisotopic Mass | 117.078979 |
| Clogp | 0.6525 |
| Clogs | -1.637 |
| H Acceptors | 3 |
| H Donors | 1 |
| Total Surface Area | 96.96 |
| Relative Psa | 0.39511 |
| Polar Surface Area | 52.32 |
| Druglikeness | -20.458 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Shape Index | 0.625 |
| Molecular Flexibility | 0.59345 |
| Molecular Complexity | 0.59725 |
| Fragments | 1 |
| Non H Atoms | 8 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 2 |
| Sp3 Atoms | 5 |
| Symmetric Atoms | 2 |
| Amides | 1 |
| Smiles | CC(C)(C)OC(N)=O |
| InChIKey | InChI=1S/C5H11NO2/c1-5(2,3)8-4(6)7/h1-3H3,(H2,6,7) |
| InChI | LFKDJXLFVYVEFG-UHFFFAOYSA-N |
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1 - tert-Butyl carbamate
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