1,3,12-Nonadecatriene
PubChem CID: 548894
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| Compound Synonyms | 1,3,12-Nonadecatriene |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Hydrocarbons |
| Deep Smiles | CCCCCCC=CCCCCCCCC=CC=C |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Classyfire Subclass | Olefins |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 222.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | nonadeca-1,3,12-triene |
| Prediction Hob | 1.0 |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 8.6 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C19H34 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IIVXTTARMAJIDL-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.6842105263157895 |
| Logs | -6.959 |
| Rotatable Bond Count | 14.0 |
| Logd | 4.886 |
| Synonyms | 1,3,12-nonadecatriene |
| Esol Class | Moderately soluble |
| Functional Groups | C=CC=CC, CC=CC |
| Compound Name | 1,3,12-Nonadecatriene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 262.266 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 262.266 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 262.5 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Lipinski Rule Of 5 | True |
| Esol | -5.973982199999998 |
| Inchi | InChI=1S/C19H34/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3,5,7,14,16H,1,4,6,8-13,15,17-19H2,2H3 |
| Smiles | CCCCCCC=CCCCCCCCC=CC=C |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Pinellia Ternata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all