2-Bromotetradecane
PubChem CID: 12798926
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| Compound Synonyms | 2-BROMOTETRADECANE, 74036-95-6, DTXSID80510172, MFCD00045033, SCHEMBL1003662, DTXCID10460979, AKOS009157417, DB-055832 |
|---|---|
| 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 | CCCCCCCCCCCCCBr)C |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Organobromides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 112.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-bromotetradecane |
| Veber Rule | False |
| Classyfire Superclass | Organohalogen compounds |
| Xlogp | 7.6 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C14H29Br |
| Inchi Key | WZGQIDWFBFDMLE-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 11.0 |
| Synonyms | 2-bromotetradecane |
| Esol Class | Moderately soluble |
| Functional Groups | CBr |
| Compound Name | 2-Bromotetradecane |
| Exact Mass | 276.145 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 276.145 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 277.28 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C14H29Br/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15/h14H,3-13H2,1-2H3 |
| Smiles | CCCCCCCCCCCCC(C)Br |
| 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 Coriandrum Sativum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1470943