(6Z,9Z,12Z,15Z)-henicosa-6,9,12,15-tetraene
PubChem CID: 21629433
Connections displayed (default: 10).
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| Topological Polar Surface Area | 0.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 261.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (6Z,9Z,12Z,15Z)-henicosa-6,9,12,15-tetraene |
| Prediction Hob | 0.0 |
| Xlogp | 8.6 |
| Molecular Formula | C21H36 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CVBGPGIEPHKALM-MAZCIEHSSA-N |
| Fcsp3 | 0.6190476190476191 |
| Logs | -2.736 |
| Rotatable Bond Count | 14.0 |
| Logd | 4.785 |
| Compound Name | (6Z,9Z,12Z,15Z)-henicosa-6,9,12,15-tetraene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 288.282 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 288.282 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 288.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 4.0 |
| Esol | -6.1228178 |
| Inchi | InChI=1S/C21H36/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h11-14,17-20H,3-10,15-16,21H2,1-2H3/b13-11-,14-12-,19-17-,20-18- |
| Smiles | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 4.0 |
- 1. Outgoing r'ship
FOUND_INto/from Adesmia Boronioides (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Croton Ruizianus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Oxytropis Muricata (Plant) Rel Props:Source_db:cmaup_ingredients