sterequinone H
PubChem CID: 5326348
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Sterequinone H, 2-(3-hydroxybutyl)-1-methylanthracene-9,10-dione, CHEMBL465769 |
|---|---|
| Topological Polar Surface Area | 54.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 444.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3-hydroxybutyl)-1-methylanthracene-9,10-dione |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Is Pains | True |
| Molecular Formula | C19H18O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | IFOVHKGWNIARGG-UHFFFAOYSA-N |
| Fcsp3 | 0.2631578947368421 |
| Rotatable Bond Count | 3.0 |
| Compound Name | sterequinone H |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 294.126 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 294.126 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 294.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.138606363636364 |
| Inchi | InChI=1S/C19H18O3/c1-11(20)7-8-13-9-10-16-17(12(13)2)19(22)15-6-4-3-5-14(15)18(16)21/h3-6,9-11,20H,7-8H2,1-2H3 |
| Smiles | CC1=C(C=CC2=C1C(=O)C3=CC=CC=C3C2=O)CCC(C)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Stereospermum Personatum (Plant) Rel Props:Source_db:cmaup_ingredients