10-Nonadecanol
PubChem CID: 85611
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| Compound Synonyms | 10-Nonadecanol, Nonadecan-10-ol, 16840-84-9, EINECS 240-864-8, AI3-36473, DTXSID90168562, NSC 158534, dinonyl carbinol, 10-hydroxynonadecane, NSC158534, SCHEMBL1258963, DTXCID6091053, CHEBI:197479, NSC-158534, NS00025526, E84134, 240-864-8 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCCC)))))))))O |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 149.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | nonadecan-10-ol |
| Prediction Hob | 1.0 |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 8.6 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C19H40O |
| Prediction Swissadme | 0.0 |
| Inchi Key | ACMBVSPXQQUNOF-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Fcsp3 | 1.0 |
| Logs | -6.657 |
| Rotatable Bond Count | 16.0 |
| Logd | 4.47 |
| Synonyms | 10-nonadecanol |
| Esol Class | Moderately soluble |
| Functional Groups | CO |
| Compound Name | 10-Nonadecanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 284.308 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 284.308 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 284.5 |
| 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 | -5.972373599999999 |
| Inchi | InChI=1S/C19H40O/c1-3-5-7-9-11-13-15-17-19(20)18-16-14-12-10-8-6-4-2/h19-20H,3-18H2,1-2H3 |
| Smiles | CCCCCCCCCC(CCCCCCCCC)O |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty acyls |
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FOUND_INto/from Berberis Pseudumbellata (Plant) Rel Props:Reference:ISBN:9770972795006 - 4. Outgoing r'ship
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FOUND_INto/from Chelidonium Majus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
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FOUND_INto/from Helichrysum Odoratissimum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1993.9698178 - 67. Outgoing r'ship
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FOUND_INto/from Thalictrum Ichangense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 95. Outgoing r'ship
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