Chemical Name - 1,4-Cyclohexanediol
Mol Weight - 116.159
Smiles - OC(CC1)CCC1O
Mol Weight - 116.159
Smiles - OC(CC1)CCC1O
| Property Value | |
| Mol Name | 1,4-Cyclohexanediol |
| Molweight | 116.159 |
| Monoisotopic Mass | 116.08373 |
| Clogp | 0.3478 |
| Clogs | -1.352 |
| H Acceptors | 2 |
| H Donors | 2 |
| Total Surface Area | 92.74 |
| Relative Psa | 0.28251 |
| Polar Surface Area | 40.46 |
| Druglikeness | -1.2426 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.75 |
| Molecular Flexibility | 0.31407 |
| Molecular Complexity | 0.59947 |
| Fragments | 1 |
| Non H Atoms | 8 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3 Atoms | 8 |
| Symmetric Atoms | 5 |
| Smiles | OC(CC1)CCC1O |
| InChIKey | InChI=1S/C6H12O2/c7-5-1-2-6(8)4-3-5/h5-8H,1-4H2 |
| InChI | VKONPUDBRVKQLM-UHFFFAOYSA-N |
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1 - 1,4-Cyclohexanediol
2 - 1,4-Cyclohexanediol
1 - 1,4-Cyclohexanediol
2 - 1,4-Cyclohexanediol
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