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CID 53435003

PubChem CID: 53435003

Connections displayed (default: 10).
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Compound Synonyms SCHEMBL136610
Topological Polar Surface Area 74.6
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 32.0
Isotope Atom Count 0.0
Molecular Complexity 155.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name tetradecanoic acid
Prediction Hob 1.0
Molecular Formula C28H56O4
Prediction Swissadme 0.0
Inchi Key ZTUXEFFFLOVXQE-UHFFFAOYSA-N
Fcsp3 0.9285714285714286
Logs -3.873
Rotatable Bond Count 24.0
Logd 3.163
Compound Name CID 53435003
Prediction Hob Swissadme 0.0
Exact Mass 456.418
Formal Charge 0.0
Monoisotopic Mass 456.418
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 456.7
Covalent Unit Count 2.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -8.698262400000004
Inchi InChI=1S/2C14H28O2/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2*2-13H2,1H3,(H,15,16)
Smiles CCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCC(=O)O
Nring 6.0
Defined Bond Stereocenter Count 0.0