4-Methoxyphenanthrene-2,3,7-triol
PubChem CID: 5319480
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 4-Methoxyphenanthrene-2,3,7-triol, CHEMBL4448456, 232950-07-1 |
|---|---|
| Topological Polar Surface Area | 69.9 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 321.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methoxyphenanthrene-2,3,7-triol |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C15H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YBJKNBNSKTTXKK-UHFFFAOYSA-N |
| Fcsp3 | 0.0666666666666666 |
| Logs | -3.739 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.942 |
| Compound Name | 4-Methoxyphenanthrene-2,3,7-triol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 256.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 256.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 256.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.005956557894737 |
| Inchi | InChI=1S/C15H12O4/c1-19-15-13-9(7-12(17)14(15)18)3-2-8-6-10(16)4-5-11(8)13/h2-7,16-18H,1H3 |
| Smiles | COC1=C2C(=CC(=C1O)O)C=CC3=C2C=CC(=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bletilla Striata (Plant) Rel Props:Source_db:cmaup_ingredients