1,3-Nonadiene
PubChem CID: 12563923
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| Compound Synonyms | 1,3-Nonadiene, 1,cis-3-nonadiene, cis-nonadiene, CLNYHERYALISIR-ALCCZGGFSA-N |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 80.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3Z)-nona-1,3-diene |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C9H16 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CLNYHERYALISIR-ALCCZGGFSA-N |
| Fcsp3 | 0.5555555555555556 |
| Logs | -3.982 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.472 |
| Compound Name | 1,3-Nonadiene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 124.125 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 124.125 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 124.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.3798074 |
| Inchi | InChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h3,5,7H,1,4,6,8-9H2,2H3/b7-5- |
| Smiles | CCCCC/C=C\C=C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Humulus Lupulus (Plant) Rel Props:Source_db:cmaup_ingredients