Chemical Name - Octane
Mol Weight - 114.231
Smiles -
Mol Weight - 114.231
Smiles -
| Property Value | |
| Mol Name | Octane |
| Molweight | 114.231 |
| Monoisotopic Mass | 114.14085 |
| Clogp | 3.7036 |
| Clogs | -2.604 |
| Total Surface Area | 120.58 |
| Druglikeness | -17.528 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 1 |
| Molecular Flexibility | 0.48023 |
| Molecular Complexity | 0.3662 |
| Non H Atoms | 8 |
| Rotatable Bonds | 5 |
| Sp3 Atoms | 8 |
| Symmetric Atoms | 4 |
| Smiles |
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1 - Octane
2 - Octane
1 - Octane
2 - Octane
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