Chemical Name - Phenyl Hexanol
Mol Weight - 178.274
Smiles - CCCCCC(c1ccccc1)O
Mol Weight - 178.274
Smiles - CCCCCC(c1ccccc1)O
| Property Value | |
| Mol Name | Phenyl Hexanol |
| Molweight | 178.274 |
| Monoisotopic Mass | 178.135765 |
| Clogp | 3.1666 |
| Clogs | -2.651 |
| H Acceptors | 1 |
| H Donors | 1 |
| Total Surface Area | 159.41 |
| Relative Psa | 0.082178 |
| Polar Surface Area | 20.23 |
| Druglikeness | -10.417 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.76923 |
| Molecular Flexibility | 0.53131 |
| Molecular Complexity | 0.52258 |
| Fragments | 1 |
| Non H Atoms | 13 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Stereo Centers | 1 |
| Rotatable Bonds | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 7 |
| Symmetric Atoms | 2 |
| Smiles | CCCCCC(c1ccccc1)O |
| InChIKey | InChI=1S/C12H18O/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h4,6-9,12-13H,2-3,5,10H2,1H3 |
| InChI | SVCRDVHXRDRHCP-UHFFFAOYSA-N |
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1 - Phenyl Hexanol
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