Chemical Name - 12-Crown-4
Mol Weight - 176.211
Smiles - C1OCCOCCOCCOC1
Mol Weight - 176.211
Smiles - C1OCCOCCOCCOC1
| Property Value | |
| Mol Name | 12-Crown-4 |
| Molweight | 176.211 |
| Monoisotopic Mass | 176.10486 |
| Clogp | -0.37 |
| Clogs | -0.214 |
| H Acceptors | 4 |
| Total Surface Area | 150.08 |
| Relative Psa | 0.26652 |
| Polar Surface Area | 36.92 |
| Druglikeness | -13.655 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Shape Index | 0.58333 |
| Molecular Flexibility | 0.40042 |
| Molecular Complexity | 0.34657 |
| Fragments | 1 |
| Non H Atoms | 12 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Rings Closures | 1 |
| Sp3 Atoms | 12 |
| Symmetric Atoms | 10 |
| Smiles | C1OCCOCCOCCOC1 |
| InChIKey | InChI=1S/C8H16O4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h1-8H2 |
| InChI | XQQZRZQVBFHBHL-UHFFFAOYSA-N |
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