7-Methoxyphenanthrene-2,4,5-triol
PubChem CID: 134154603
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| Compound Synonyms | CHEMBL3970719 |
|---|---|
| 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 | 7-methoxyphenanthrene-2,4,5-triol |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C15H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IQNTVFCKFSVGEO-UHFFFAOYSA-N |
| Fcsp3 | 0.0666666666666666 |
| Logs | -3.917 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.242 |
| Compound Name | 7-Methoxyphenanthrene-2,4,5-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/c1-19-11-5-9-3-2-8-4-10(16)6-12(17)14(8)15(9)13(18)7-11/h2-7,16-18H,1H3 |
| Smiles | COC1=CC(=C2C(=C1)C=CC3=CC(=CC(=C32)O)O)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