Salicylic acid, 6-(heptadecenyl)-
PubChem CID: 6443011
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| Compound Synonyms | Salicylic acid, 6-(heptadecenyl)-, 28759-01-5, 2-(12'-heptadecen-1-yl)-6-hydroxybenzoic 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 | CCCCCCCCCCCCCCC/C=C/cccccc6C=O)O)))O |
| Heavy Atom Count | 27.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Benzoic acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 391.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[(E)-heptadec-1-enyl]-6-hydroxybenzoic acid |
| Veber Rule | False |
| Classyfire Superclass | Benzenoids |
| Xlogp | 10.1 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C24H38O3 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | KGOSPNJCEHLXHB-FBMGVBCBSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 16.0 |
| Synonyms | salicylic acid, 6-heptadecenyl |
| Esol Class | Poorly soluble |
| Functional Groups | c/C=C/C, cC(=O)O, cO |
| Compound Name | Salicylic acid, 6-(heptadecenyl)- |
| Exact Mass | 374.282 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 374.282 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 374.6 |
| Gi Absorption | False |
| 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/C24H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h16-20,25H,2-15H2,1H3,(H,26,27)/b18-16+ |
| Smiles | CCCCCCCCCCCCCCC/C=C/C1=C(C(=CC=C1)O)C(=O)O |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | False |
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