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6-Hentriacontanol

PubChem CID: 5318007

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Compound Synonyms 6-Hentriacontanol, hentriacontan-6-ol, 96850-32-7, DTXSID40415730, BTIPNGPHUGUYAR-UHFFFAOYSA-N
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 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)))))O
Heavy Atom Count 32.0
Classyfire Class Fatty acyls
Classyfire Subclass Fatty alcohols
Isotope Atom Count 0.0
Molecular Complexity 314.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name hentriacontan-6-ol
Prediction Hob 0.0
Veber Rule False
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 15.1
Gsk 4 400 Rule False
Molecular Formula C31H64O
Prediction Swissadme 0.0
Inchi Key BTIPNGPHUGUYAR-UHFFFAOYSA-N
Silicos It Class Insoluble
Fcsp3 1.0
Logs -7.616
Rotatable Bond Count 28.0
Logd 5.093
Synonyms hentriacontan-6-ol
Esol Class Insoluble
Functional Groups CO
Compound Name 6-Hentriacontanol
Prediction Hob Swissadme 0.0
Exact Mass 452.496
Formal Charge 0.0
Monoisotopic Mass 452.496
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 452.8
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
Esol -10.318982400000001
Inchi InChI=1S/C31H64O/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-30-31(32)29-27-6-4-2/h31-32H,3-30H2,1-2H3
Smiles CCCCCCCCCCCCCCCCCCCCCCCCCC(CCCCC)O
Nring 0.0
Np Classifier Biosynthetic Pathway Fatty acids
Defined Bond Stereocenter Count 0.0
Egan Rule False
Np Classifier Superclass Fatty acyls