1-Methyl-10,11-dioxonaphtho[1,2-g][1]benzofuran-6-carbaldehyde
PubChem CID: 14609847
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| Topological Polar Surface Area | 64.4 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 513.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methyl-10,11-dioxonaphtho[1,2-g][1]benzofuran-6-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C18H10O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QMOPNCBGTRJHHI-UHFFFAOYSA-N |
| Fcsp3 | 0.0555555555555555 |
| Logs | -4.019 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.864 |
| Compound Name | 1-Methyl-10,11-dioxonaphtho[1,2-g][1]benzofuran-6-carbaldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 290.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 290.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 290.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.835944254545455 |
| Inchi | InChI=1S/C18H10O4/c1-9-8-22-18-13-6-5-11-10(7-19)3-2-4-12(11)15(13)17(21)16(20)14(9)18/h2-8H,1H3 |
| Smiles | CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C(C=CC=C43)C=O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Salvia Miltiorrhiza (Plant) Rel Props:Source_db:cmaup_ingredients