Chemical Name - ISO Phorone
Mol Weight - 138.209
Smiles - CC(C)(CC(C)=C1)CC1=O
Mol Weight - 138.209
Smiles - CC(C)(CC(C)=C1)CC1=O
| Property Value | |
| Mol Name | ISO Phorone |
| Molweight | 138.209 |
| Monoisotopic Mass | 138.104465 |
| Clogp | 2.1092 |
| Clogs | -2.035 |
| H Acceptors | 1 |
| Total Surface Area | 117.17 |
| Relative Psa | 0.11129 |
| Polar Surface Area | 17.07 |
| Druglikeness | -3.2476 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Shape Index | 0.5 |
| Molecular Flexibility | 0.17127 |
| Molecular Complexity | 0.66644 |
| Fragments | 1 |
| Non H Atoms | 10 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3 Atoms | 6 |
| Symmetric Atoms | 1 |
| Smiles | CC(C)(CC(C)=C1)CC1=O |
| InChIKey | |
| InChI | C9H14O |
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1 - ISO Phorone
2 - ISO Phorone
1 - ISO Phorone
2 - ISO Phorone
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