Navenone A
PubChem CID: 10944128
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| Compound Synonyms | Navenone A, 62695-67-4, (3E,5E,7E,9E)-10-pyridin-3-yldeca-3,5,7,9-tetraen-2-one, CHEBI:80863, DTXSID10449284, C17019, Q27151364, (3E,5E,7E,9E)-10-(3-Pyridyl)-3,5,7,9-decatetrene-2-one, (3E,5E,7E,9E)-10-(Pyridin-3-yl)deca-3,5,7,9-tetraen-2-one |
|---|---|
| Topological Polar Surface Area | 30.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 337.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3E,5E,7E,9E)-10-pyridin-3-yldeca-3,5,7,9-tetraen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C15H15NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | MJNYHZWCFFQCRW-ZUFLRRBNSA-N |
| Fcsp3 | 0.0666666666666666 |
| Logs | -3.039 |
| Rotatable Bond Count | 5.0 |
| Logd | 1.3 |
| Compound Name | Navenone A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 225.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 225.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 225.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 4.0 |
| Esol | -2.919380670588235 |
| Inchi | InChI=1S/C15H15NO/c1-14(17)9-6-4-2-3-5-7-10-15-11-8-12-16-13-15/h2-13H,1H3/b4-2+,5-3+,9-6+,10-7+ |
| Smiles | CC(=O)/C=C/C=C/C=C/C=C/C1=CN=CC=C1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 4.0 |
- 1. Outgoing r'ship
FOUND_INto/from Xanthium Strumarium (Plant) Rel Props:Source_db:cmaup_ingredients