Chemical Name - Anthrone
Mol Weight - 194.232
Smiles - O=C(c1c(C2)cccc1)c1c2cccc1
Mol Weight - 194.232
Smiles - O=C(c1c(C2)cccc1)c1c2cccc1
| Property Value | |
| Mol Name | Anthrone |
| Molweight | 194.232 |
| Monoisotopic Mass | 194.073165 |
| Clogp | 3.5354 |
| Clogs | -4.341 |
| H Acceptors | 1 |
| Total Surface Area | 151.03 |
| Relative Psa | 0.08634 |
| Polar Surface Area | 17.07 |
| Druglikeness | -1.2328 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.53333 |
| Molecular Flexibility | 0.15696 |
| Molecular Complexity | 0.72141 |
| Fragments | 1 |
| Non H Atoms | 15 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3 Atoms | 1 |
| Symmetric Atoms | 6 |
| Smiles | O=C(c1c(C2)cccc1)c1c2cccc1 |
| InChIKey | InChI=1S/C14H10O/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-8H,9H2 |
| InChI | RJGDLRCDCYRQOQ-UHFFFAOYSA-N |
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