Chemical Name - Isoamyl Alcohol
Mol Weight - 88.1493
Smiles - CC(C)CCO
Mol Weight - 88.1493
Smiles - CC(C)CCO
| Property Value | |
| Mol Name | Isoamyl Alcohol |
| Molweight | 88.1493 |
| Monoisotopic Mass | 88.088815 |
| Clogp | 1.1776 |
| Clogs | -1.177 |
| H Acceptors | 1 |
| H Donors | 1 |
| Total Surface Area | 84.39 |
| Relative Psa | 0.15523 |
| Polar Surface Area | 20.23 |
| Druglikeness | -6.0073 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Shape Index | 0.83333 |
| Molecular Flexibility | 0.74043 |
| Molecular Complexity | 0.69315 |
| Fragments | 1 |
| Non H Atoms | 6 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bonds | 2 |
| Sp3 Atoms | 6 |
| Symmetric Atoms | 1 |
| Smiles | CC(C)CCO |
| InChIKey | InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3 |
| InChI | PHTQWCKDNZKARW-UHFFFAOYSA-N |
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1 - Isoamyl Alcohol
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1 - Isoamyl Alcohol
2 - Isoamyl Alcohol
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