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Dehydrofalcarinone

PubChem CID: 5281145

Connections displayed (default: 10).
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Compound Synonyms Dehydrofalcarinone, (9Z)-heptadeca-1,9,16-trien-4,6-diyn-3-one, C08445, 4117-05-9, AC1NQY3Q, CHEBI:4364, LMFA12000337, 1,9Z,16-heptadecatrien-4,6-diyn-3-one, (Z)-heptadeca-1,9,16-trien-4,6-diyn-3-one, Q27106350
Topological Polar Surface Area 17.1
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 18.0
Isotope Atom Count 0.0
Molecular Complexity 425.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name (9Z)-heptadeca-1,9,16-trien-4,6-diyn-3-one
Prediction Hob 0.0
Xlogp 5.5
Molecular Formula C17H20O
Prediction Swissadme 0.0
Inchi Key HLHBDMWPPKHNDQ-KHPPLWFESA-N
Fcsp3 0.3529411764705882
Logs -4.415
Rotatable Bond Count 9.0
Logd 3.617
Compound Name Dehydrofalcarinone
Prediction Hob Swissadme 0.0
Exact Mass 240.151
Formal Charge 0.0
Monoisotopic Mass 240.151
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 240.34
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 1.0
Esol -4.2608452
Inchi InChI=1S/C17H20O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h3-4,10-11H,1-2,5-9,12H2/b11-10-
Smiles C=CCCCCC/C=C\CC#CC#CC(=O)C=C
Nring 0.0
Defined Bond Stereocenter Count 1.0