1-Bromotriacontane
PubChem CID: 521082
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1-Bromotriacontane, 4209-22-7, Triacontane, 1-bromo-, 1-Bromotriacontane #, SCHEMBL5575813, SFVIZKWTUKBDIY-UHFFFAOYSA-N, DTXSID601316056, DB-363486 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCBr |
| Heavy Atom Count | 31.0 |
| Classyfire Class | Organobromides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 288.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-bromotriacontane |
| Prediction Hob | 0.0 |
| Veber Rule | False |
| Classyfire Superclass | Organohalogen compounds |
| Xlogp | 16.8 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C30H61Br |
| Prediction Swissadme | 0.0 |
| Inchi Key | SFVIZKWTUKBDIY-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 28.0 |
| Synonyms | 1-bromo-triacontane, 1-bromotriacontane |
| Esol Class | Insoluble |
| Functional Groups | CBr |
| Compound Name | 1-Bromotriacontane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 500.396 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 500.396 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 501.7 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | False |
| Esol | -11.692976400000001 |
| Inchi | InChI=1S/C30H61Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31/h2-30H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCBr |
| 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 Ficus Carica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Gomphrena Globosa (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Jatropha Curcas (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886965