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Tetratriacontane

PubChem CID: 26519

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Compound Synonyms Tetratriacontane, N-TETRATRIACONTANE, 14167-59-0, NSC 2998, UNII-94UA0738YX, 94UA0738YX, NSC-2998, EINECS 238-013-0, AI3-36492, DTXSID7058622, CHEBI:87443, n-Tetratriacontane 100 microg/mL in Hexane, Tetratriacontane, analytical standard, Tetratriacontane, NSC 2998, n-Tetratriacontane, nTetratriacontane, MFCD00009412, Tetratriacontane, 98%, DTXCID1032309, NSC2998, BBL103832, LMFA11000587, STL557642, AKOS025212369, FT65863, HY-W269867, AS-57006, DB-042580, CS-0315160, NS00010743, T0687, T2938, T71761, Q151145, FF7BB6B8-4684-449E-9BAA-3CEDC172E786, 238-013-0
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 0.0
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Np Classifier Class Hydrocarbons
Deep Smiles CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Heavy Atom Count 34.0
Classyfire Class Saturated hydrocarbons
Classyfire Subclass Alkanes
Isotope Atom Count 0.0
Molecular Complexity 288.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name tetratriacontane
Prediction Hob 0.0
Veber Rule False
Classyfire Superclass Hydrocarbons
Xlogp 18.0
Gsk 4 400 Rule False
Molecular Formula C34H70
Prediction Swissadme 0.0
Inchi Key GWVDBZWVFGFBCN-UHFFFAOYSA-N
Silicos It Class Insoluble
Fcsp3 1.0
Logs -3.991
Rotatable Bond Count 31.0
Logd 3.297
Synonyms n-tetratriacontane, tetratriacontane
Esol Class Insoluble
Compound Name Tetratriacontane
Prediction Hob Swissadme 0.0
Exact Mass 478.548
Formal Charge 0.0
Monoisotopic Mass 478.548
Hydrogen Bond Acceptor Count 0.0
Molecular Weight 478.9
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 -12.122290800000002
Inchi InChI=1S/C34H70/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3
Smiles CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Nring 2.0
Np Classifier Biosynthetic Pathway Fatty acids
Defined Bond Stereocenter Count 0.0
Egan Rule False
Np Classifier Superclass Fatty acyls

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