2,3,4,6,7-Pentamethoxyphenanthrene
PubChem CID: 85789494
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL3314707 |
|---|---|
| Topological Polar Surface Area | 46.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 403.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3,4,6,7-pentamethoxyphenanthrene |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C19H20O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | RNTAIKBFRNJDIV-UHFFFAOYSA-N |
| Fcsp3 | 0.2631578947368421 |
| Logs | -4.767 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.376 |
| Compound Name | 2,3,4,6,7-Pentamethoxyphenanthrene |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 328.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 328.131 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 328.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.6739234666666665 |
| Inchi | InChI=1S/C19H20O5/c1-20-14-8-11-6-7-12-9-16(22-3)18(23-4)19(24-5)17(12)13(11)10-15(14)21-2/h6-10H,1-5H3 |
| Smiles | COC1=C(C=C2C(=C1)C=CC3=CC(=C(C(=C32)OC)OC)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Epimedium Koreanum (Plant) Rel Props:Source_db:cmaup_ingredients