6-Pentadecenyl salicylic acid
PubChem CID: 3015429
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| Compound Synonyms | 6-pentadecenyl salicylic acid |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | CCCCCCCCCCCCCC=Ccccccc6C=O)O)))O |
| Heavy Atom Count | 25.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Benzoic acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 364.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hydroxy-6-pentadec-1-enylbenzoic acid |
| Veber Rule | False |
| Classyfire Superclass | Benzenoids |
| Xlogp | 9.0 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C22H34O3 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | RGXOFHPRMSFZIL-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 14.0 |
| Synonyms | salicylic acid,6-pentadecenyl |
| Esol Class | Poorly soluble |
| Functional Groups | cC(=O)O, cC=CC, cO |
| Compound Name | 6-Pentadecenyl salicylic acid |
| Exact Mass | 346.251 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 346.251 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 346.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h14-18,23H,2-13H2,1H3,(H,24,25) |
| Smiles | CCCCCCCCCCCCCC=CC1=C(C(=CC=C1)O)C(=O)O |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
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