(2E,7Z)-N-Isobutyl-2,7-tridecadiene-10,12-diynamide
PubChem CID: 15609892
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| Compound Synonyms | (2E,7Z)-N-Isobutyl-2,7-tridecadiene-10,12-diynamide |
|---|---|
| Topological Polar Surface Area | 29.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 420.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,7Z)-N-(2-methylpropyl)trideca-2,7-dien-10,12-diynamide |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Molecular Formula | C17H23NO |
| Prediction Swissadme | 1.0 |
| Inchi Key | AUFSPNOHXVRCBY-NRSBDZSJSA-N |
| Fcsp3 | 0.4705882352941176 |
| Logs | -3.367 |
| Rotatable Bond Count | 9.0 |
| Logd | 3.367 |
| Compound Name | (2E,7Z)-N-Isobutyl-2,7-tridecadiene-10,12-diynamide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 257.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 257.178 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 257.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.6797374 |
| Inchi | InChI=1S/C17H23NO/c1-4-5-6-7-8-9-10-11-12-13-14-17(19)18-15-16(2)3/h1,8-9,13-14,16H,7,10-12,15H2,2-3H3,(H,18,19)/b9-8-,14-13+ |
| Smiles | CC(C)CNC(=O)/C=C/CCC/C=C\CC#CC#C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Echinacea Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients