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(3Z,18Z)-henicosa-3,18-dien-1,8,10,20-tetrayne

PubChem CID: 10636218

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Compound Synonyms CALLYTETRAYNE, CHEMBL445529, (3Z,18Z)-henicosa-3,18-dien-1,8,10,20-tetrayne
Topological Polar Surface Area 0.0
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 21.0
Isotope Atom Count 0.0
Molecular Complexity 539.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name (3Z,18Z)-henicosa-3,18-dien-1,8,10,20-tetrayne
Prediction Hob 1.0
Xlogp 6.8
Molecular Formula C21H24
Prediction Swissadme 0.0
Inchi Key JLMGIKDCGVHZJL-SFECMWDFSA-N
Fcsp3 0.4285714285714285
Logs -6.552
Rotatable Bond Count 10.0
Logd 3.588
Compound Name (3Z,18Z)-henicosa-3,18-dien-1,8,10,20-tetrayne
Prediction Hob Swissadme 0.0
Exact Mass 276.188
Formal Charge 0.0
Monoisotopic Mass 276.188
Hydrogen Bond Acceptor Count 0.0
Molecular Weight 276.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 2.0
Esol -5.212322599999999
Inchi InChI=1S/C21H24/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h1-2,5-8H,9-15,17,19H2/b7-5-,8-6-
Smiles C#C/C=C\CCCCCCC#CC#CCCC/C=C\C#C
Nring 0.0
Defined Bond Stereocenter Count 2.0