Navenone B
PubChem CID: 11042375
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| Compound Synonyms | Navenone B, 62695-68-5, (3E,5E,7E,9E)-10-phenyldeca-3,5,7,9-tetraen-2-one, CHEBI:80864, DTXSID60453058, C17020, Q27151365 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 325.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3E,5E,7E,9E)-10-phenyldeca-3,5,7,9-tetraen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Molecular Formula | C16H16O |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZEWIVXFRPUFJSZ-TZMGHXHMSA-N |
| Fcsp3 | 0.0625 |
| Logs | -3.684 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.644 |
| Compound Name | Navenone B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 224.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 224.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 224.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 4.0 |
| Esol | -3.656655070588235 |
| Inchi | InChI=1S/C16H16O/c1-15(17)11-7-4-2-3-5-8-12-16-13-9-6-10-14-16/h2-14H,1H3/b4-2+,5-3+,11-7+,12-8+ |
| Smiles | CC(=O)/C=C/C=C/C=C/C=C/C1=CC=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