Chemical Name - Isopropyl Alcohol
Mol Weight - 60.0955
Smiles - CC(C)O
Mol Weight - 60.0955
Smiles - CC(C)O
| Property Value | |
| Mol Name | Isopropyl Alcohol |
| Molweight | 60.0955 |
| Monoisotopic Mass | 60.057515 |
| Clogp | 0.4098 |
| Clogs | -0.855 |
| H Acceptors | 1 |
| H Donors | 1 |
| Total Surface Area | 56.87 |
| Relative Psa | 0.23035 |
| Polar Surface Area | 20.23 |
| Druglikeness | -2.6347 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non H Atoms | 4 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Sp3 Atoms | 4 |
| Symmetric Atoms | 1 |
| Smiles | CC(C)O |
| InChIKey | InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3 |
| InChI | KFZMGEQAYNKOFK-UHFFFAOYSA-N |
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1 - Isopropyl Alcohol
2 - Isopropyl Alcohol
1 - Isopropyl Alcohol
2 - Isopropyl Alcohol
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