Chemical Name - DL-Camphorquinone
Mol Weight - 166.219
Smiles - CC(C)(C(CC1)C2=O)C1(C)C2=O
Mol Weight - 166.219
Smiles - CC(C)(C(CC1)C2=O)C1(C)C2=O
| Property Value | |
| Mol Name | DL-Camphorquinone |
| Molweight | 166.219 |
| Monoisotopic Mass | 166.09938 |
| Clogp | 1.4709 |
| Clogs | -2.104 |
| H Acceptors | 2 |
| Total Surface Area | 119.62 |
| Relative Psa | 0.21802 |
| Polar Surface Area | 34.14 |
| Druglikeness | -10.217 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.41667 |
| Molecular Complexity | 0.78036 |
| Fragments | 1 |
| Non H Atoms | 12 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Stereo Centers | 2 |
| Rings Closures | 2 |
| Small Rings | 3 |
| Sp3 Atoms | 8 |
| Symmetric Atoms | 1 |
| Smiles | CC(C)(C(CC1)C2=O)C1(C)C2=O |
| InChIKey | InChI=1S/C10H14O2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6H,4-5H2,1-3H3 |
| InChI | VNQXSTWCDUXYEZ-UHFFFAOYSA-N |
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