Chemical Name - Hexane
Mol Weight - 86.1772
Smiles - CCCCCC
Mol Weight - 86.1772
Smiles - CCCCCC
| Property Value | |
| Mol Name | Hexane |
| Molweight | 86.1772 |
| Monoisotopic Mass | 86.10955 |
| Clogp | 2.7948 |
| Clogs | -2.064 |
| Total Surface Area | 93.06 |
| Druglikeness | -7.9676 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Shape Index | 1 |
| Molecular Flexibility | 0.46107 |
| Molecular Complexity | 0.54931 |
| Fragments | 1 |
| Non H Atoms | 6 |
| Rotatable Bonds | 3 |
| Sp3 Atoms | 6 |
| Symmetric Atoms | 3 |
| Smiles | CCCCCC |
| InChIKey | InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3 |
| InChI | VLKZOEOYAKHREP-UHFFFAOYSA-N |
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1 - Hexane
2 - Hexane
1 - Hexane
2 - Hexane
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