Chemical Name - N-Hexanol
Mol Weight - 102.176
Smiles - CCCCCCO
Mol Weight - 102.176
Smiles - CCCCCCO
| Property Value | |
| Mol Name | N-Hexanol |
| Molweight | 102.176 |
| Monoisotopic Mass | 102.104465 |
| Clogp | 1.8681 |
| Clogs | -1.557 |
| H Acceptors | 1 |
| H Donors | 1 |
| Total Surface Area | 100.91 |
| Relative Psa | 0.12982 |
| Polar Surface Area | 20.23 |
| Druglikeness | -19.396 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 1 |
| Molecular Flexibility | 0.55034 |
| Molecular Complexity | 0.4621 |
| Fragments | 1 |
| Non H Atoms | 7 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bonds | 4 |
| Sp3 Atoms | 7 |
| Smiles | CCCCCCO |
| InChIKey | InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3 |
| InChI | ZSIAUFGUXNUGDI-UHFFFAOYSA-N |
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1 - N-Hexanol
2 - N-Hexanol
1 - N-Hexanol
2 - N-Hexanol
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