3,9-Dimethyl-2,3-dihydrophenanthro[1,2-b]furan-4,5-dione
PubChem CID: 40785034
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| Compound Synonyms | 3,9-Dimethyl-2,3-dihydrophenanthro[1,2-b]furan-4,5-dione |
|---|---|
| Topological Polar Surface Area | 43.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 533.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (1S)-1,6-dimethyl-1,2-dihydronaphtho[1,2-g][1]benzofuran-10,11-dione |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C18H14O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HARGZZNYNSYSGJ-SNVBAGLBSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -3.979 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.424 |
| Compound Name | 3,9-Dimethyl-2,3-dihydrophenanthro[1,2-b]furan-4,5-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 278.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 278.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 278.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9086843523809525 |
| Inchi | InChI=1S/C18H14O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-7,10H,8H2,1-2H3/t10-/m1/s1 |
| Smiles | C[C@@H]1COC2=C1C(=O)C(=O)C3=C2C=CC4=C(C=CC=C43)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Veronicastrum Sibiricum (Plant) Rel Props:Source_db:cmaup_ingredients