7-Hydroxy-9,10-dihydrophenanthrene-1,4-dione
PubChem CID: 132525205
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| Compound Synonyms | CHEMBL3975724 |
|---|---|
| Topological Polar Surface Area | 54.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 444.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-9,10-dihydrophenanthrene-1,4-dione |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C14H10O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NNYLIBUXJIIVQP-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -3.823 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.153 |
| Compound Name | 7-Hydroxy-9,10-dihydrophenanthrene-1,4-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 226.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 226.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 226.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5244086705882354 |
| Inchi | InChI=1S/C14H10O3/c15-9-2-4-10-8(7-9)1-3-11-12(16)5-6-13(17)14(10)11/h2,4-7,15H,1,3H2 |
| Smiles | C1CC2=C(C3=C1C=C(C=C3)O)C(=O)C=CC2=O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dendrobium Nobile (Plant) Rel Props:Source_db:cmaup_ingredients