1,6-dimethyl-10,11-dioxo-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-6-carbaldehyde
PubChem CID: 5321618
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 64.4 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 556.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,6-dimethyl-10,11-dioxo-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-6-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C19H16O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DOTMPUPUFKPNGM-UHFFFAOYSA-N |
| Fcsp3 | 0.3157894736842105 |
| Logs | -5.379 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.821 |
| Compound Name | 1,6-dimethyl-10,11-dioxo-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-6-carbaldehyde |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 308.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 308.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 308.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8098776434782615 |
| Inchi | InChI=1S/C19H16O4/c1-10-8-23-18-12-5-6-13-11(4-3-7-19(13,2)9-20)15(12)17(22)16(21)14(10)18/h5-6,8-9H,3-4,7H2,1-2H3 |
| Smiles | CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C=O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Salvia Miltiorrhiza (Plant) Rel Props:Source_db:cmaup_ingredients