1-Nonacosanol
PubChem CID: 243696
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| Compound Synonyms | 1-Nonacosanol, Nonacosanol, nonacosan-1-ol, 6624-76-6, UNII-KE2MXY103L, KE2MXY103L, n-nonacosanol, NONACOSANYL ALCOHOL, NSC 53831, NSC-53831, DTXSID40216446, NSC53831, SCHEMBL16265, DTXCID40138937, PKBSGDQYUYBUDY-UHFFFAOYSA-N, GAA62476, LMFA05000457, AKOS024391052, Q4545798 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty alcohols |
| Deep Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCO |
| Heavy Atom Count | 30.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 276.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | nonacosan-1-ol |
| Prediction Hob | 0.0 |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 14.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C29H60O |
| Prediction Swissadme | 0.0 |
| Inchi Key | PKBSGDQYUYBUDY-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Fcsp3 | 1.0 |
| Logs | -7.535 |
| Rotatable Bond Count | 27.0 |
| Logd | 4.609 |
| Synonyms | 1-nonacosanol, non-acosanol, nonacosanol |
| Esol Class | Poorly soluble |
| Functional Groups | CO |
| Compound Name | 1-Nonacosanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 424.464 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 424.464 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 424.8 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -9.606247600000003 |
| Inchi | InChI=1S/C29H60O/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/h30H,2-29H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCO |
| 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
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