Chemical Name - Tertiary Butanol
Mol Weight - 74.1224
Smiles - CC(C)(C)O
Mol Weight - 74.1224
Smiles - CC(C)(C)O
| Property Value | |
| Mol Name | Tertiary Butanol |
| Molweight | 74.1224 |
| Monoisotopic Mass | 74.073165 |
| Clogp | 0.7904 |
| Clogs | -0.964 |
| H Acceptors | 1 |
| H Donors | 1 |
| Total Surface Area | 67.04 |
| Relative Psa | 0.19541 |
| Polar Surface Area | 20.23 |
| Druglikeness | -5.2647 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Shape Index | 0.6 |
| Molecular Complexity | 0.54931 |
| Fragments | 1 |
| Non H Atoms | 5 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Sp3 Atoms | 5 |
| Symmetric Atoms | 2 |
| Smiles | CC(C)(C)O |
| InChIKey | InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3 |
| InChI | DKGAVHZHDRPRBM-UHFFFAOYSA-N |
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1 - Tertiary Butanol
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