Methylfuromollugin
PubChem CID: 10801037
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| Compound Synonyms | methylfuromollugin, CHEMBL463151 |
|---|---|
| Topological Polar Surface Area | 48.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 343.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 5-methoxybenzo[g][1]benzofuran-4-carboxylate |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C15H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VBAWYROZVIHNQI-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -5.63 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.39 |
| Compound Name | Methylfuromollugin |
| 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 | -3.8791091894736835 |
| Inchi | InChI=1S/C15H12O4/c1-17-14-10-6-4-3-5-9(10)13-11(7-8-19-13)12(14)15(16)18-2/h3-8H,1-2H3 |
| Smiles | COC1=C(C2=C(C3=CC=CC=C31)OC=C2)C(=O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rubia Cordifolia (Plant) Rel Props:Source_db:cmaup_ingredients