Confertifoline
PubChem CID: 435751
Connections displayed (default: 10).
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| Compound Synonyms | CONFERTIFOLINE, NSC375294, NCIMech_000461, SCHEMBL6438246, CHEMBL1993066, NSC-375294, PD011748, 6,6,9a-trimethyl-4,5,5a,6,7,8,9,9a-octahydronaphtho[1,2-c]furan-3(1h)-one |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 405.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C15H22O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZERYGJQXPPRRCW-UHFFFAOYSA-N |
| Fcsp3 | 0.8 |
| Logs | -4.704 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.32 |
| Compound Name | Confertifoline |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 234.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 234.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 234.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6869017999999993 |
| Inchi | InChI=1S/C15H22O2/c1-14(2)7-4-8-15(3)11-9-17-13(16)10(11)5-6-12(14)15/h12H,4-9H2,1-3H3 |
| Smiles | CC1(CCCC2(C1CCC3=C2COC3=O)C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
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