Emorydone
PubChem CID: 10063979
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | emorydone, CHEMBL445520, 65653-67-0, 6-chromen-2-ylidene-2,2,4,4-tetramethylcyclohexane-1,3,5-trione |
|---|---|
| Topological Polar Surface Area | 60.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 616.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-chromen-2-ylidene-2,2,4,4-tetramethylcyclohexane-1,3,5-trione |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Molecular Formula | C19H18O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KJTSEOZFKJNYBZ-UHFFFAOYSA-N |
| Fcsp3 | 0.3157894736842105 |
| Logs | -4.296 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.989 |
| Compound Name | Emorydone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 310.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 310.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 310.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.48350727826087 |
| Inchi | InChI=1S/C19H18O4/c1-18(2)15(20)14(16(21)19(3,4)17(18)22)13-10-9-11-7-5-6-8-12(11)23-13/h5-10H,1-4H3 |
| Smiles | CC1(C(=O)C(=C2C=CC3=CC=CC=C3O2)C(=O)C(C1=O)(C)C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Psorothamnus Junceus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all