Chemical Name - tert-Butyl carbazate
Mol Weight - 132.162
Smiles - CC(C)(C)OC(NN)=O
Mol Weight - 132.162
Smiles - CC(C)(C)OC(NN)=O
| Property Value | |
| Mol Name | tert-Butyl carbazate |
| Molweight | 132.162 |
| Monoisotopic Mass | 132.089878 |
| Clogp | -0.1116 |
| Clogs | -1.914 |
| H Acceptors | 4 |
| H Donors | 2 |
| Total Surface Area | 108.42 |
| Relative Psa | 0.45905 |
| Polar Surface Area | 64.35 |
| Druglikeness | -39.247 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Shape Index | 0.66667 |
| Molecular Flexibility | 0.56018 |
| Molecular Complexity | 0.48648 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bonds | 2 |
| Sp3 Atoms | 6 |
| Symmetric Atoms | 2 |
| Smiles | CC(C)(C)OC(NN)=O |
| InChIKey | InChI=1S/C5H12N2O2/c1-5(2,3)9-4(8)7-6/h6H2,1-3H3,(H,7,8) |
| InChI | DKACXUFSLUYRFU-UHFFFAOYSA-N |
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1 - tert-Butyl carbazate
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