Nobilone
PubChem CID: 16104871
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| Compound Synonyms | nobilone, 2,7-dihydroxy-4-methoxyfluoren-9-one, CHEMBL385256, 2,7-dihydroxy-4-methoxy-9-fluorenone, 924895-51-2 |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 343.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,7-dihydroxy-4-methoxyfluoren-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C14H10O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GLMNDDJSYQXNSY-UHFFFAOYSA-N |
| Fcsp3 | 0.0714285714285714 |
| Logs | -3.954 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.484 |
| Compound Name | Nobilone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 242.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 242.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 242.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1488593333333332 |
| Inchi | InChI=1S/C14H10O4/c1-18-12-6-8(16)5-11-13(12)9-3-2-7(15)4-10(9)14(11)17/h2-6,15-16H,1H3 |
| Smiles | COC1=CC(=CC2=C1C3=C(C2=O)C=C(C=C3)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dendrobium Nobile (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all