8-methylidene-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-dione
PubChem CID: 14609851
Connections displayed (default: 10).
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| Topological Polar Surface Area | 34.1 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 498.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-methylidene-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-dione |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C18H18O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | LZQLPNKJTUROMD-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -6.516 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.601 |
| Compound Name | 8-methylidene-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-dione |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 266.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 266.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 266.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.079108 |
| Inchi | InChI=1S/C18H18O2/c1-10(2)15-9-12-7-8-13-11(3)5-4-6-14(13)16(12)18(20)17(15)19/h7-10H,3-6H2,1-2H3 |
| Smiles | CC(C)C1=CC2=C(C3=C(C=C2)C(=C)CCC3)C(=O)C1=O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Salvia Miltiorrhiza (Plant) Rel Props:Source_db:cmaup_ingredients