9-Ethyl-3-hydroxy-[1]benzofuro[3,2-c]chromen-6-one
PubChem CID: 162910559
Connections displayed (default: 10).
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| Topological Polar Surface Area | 59.7 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 423.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-ethyl-3-hydroxy-[1]benzofuro[3,2-c]chromen-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C17H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GVGJFWYVWMIWMP-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -5.538 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.661 |
| Compound Name | 9-Ethyl-3-hydroxy-[1]benzofuro[3,2-c]chromen-6-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 280.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 280.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 280.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.876477419047618 |
| Inchi | InChI=1S/C17H12O4/c1-2-9-3-5-11-13(7-9)20-16-12-6-4-10(18)8-14(12)21-17(19)15(11)16/h3-8,18H,2H2,1H3 |
| Smiles | CCC1=CC2=C(C=C1)C3=C(O2)C4=C(C=C(C=C4)O)OC3=O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cicer Arietinum (Plant) Rel Props:Source_db:cmaup_ingredients