Chemical Name - Allyl Alcohol
Mol Weight - 58.0796
Smiles - C=CCO
InChI - XXROGKLTLUQVRX-UHFFFAOYSA-N
InChIKey - InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2
Mol Weight - 58.0796
Smiles - C=CCO
InChI - XXROGKLTLUQVRX-UHFFFAOYSA-N
InChIKey - InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2
| Property Value | |
| Mol Name | Allyl Alcohol |
| Molweight | 58.0796 |
| Monoisotopic Mass | 58.041865 |
| Clogp | 0.3194 |
| Clogs | -0.686 |
| H Acceptors | 1 |
| H Donors | 1 |
| Total Surface Area | 58.15 |
| Relative Psa | 0.22528 |
| Polar Surface Area | 20.23 |
| Druglikeness | -4.9356 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 1 |
| Molecular Flexibility | 0.78905 |
| Fragments | 1 |
| Non H Atoms | 4 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bonds | 1 |
| Sp3 Atoms | 2 |
| Smiles | C=CCO |
| InChIKey | InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2 |
| InChI | XXROGKLTLUQVRX-UHFFFAOYSA-N |
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