1-Hydroxy-8,8-dimethyl-2-propan-2-yl-6,7-dihydrophenanthrene-3,4,5-trione
PubChem CID: 5319835
Connections displayed (default: 10).
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| Topological Polar Surface Area | 71.4 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 611.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-hydroxy-8,8-dimethyl-2-propan-2-yl-6,7-dihydrophenanthrene-3,4,5-trione |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C19H20O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | NYGPWXJSVZGUQX-UHFFFAOYSA-N |
| Fcsp3 | 0.4210526315789473 |
| Logs | -3.968 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.624 |
| Compound Name | 1-Hydroxy-8,8-dimethyl-2-propan-2-yl-6,7-dihydrophenanthrene-3,4,5-trione |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 312.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 312.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 312.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7685064782608695 |
| Inchi | InChI=1S/C19H20O4/c1-9(2)13-16(21)10-5-6-11-15(14(10)18(23)17(13)22)12(20)7-8-19(11,3)4/h5-6,9,21H,7-8H2,1-4H3 |
| Smiles | CC(C)C1=C(C2=C(C3=C(C=C2)C(CCC3=O)(C)C)C(=O)C1=O)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