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Capillone

PubChem CID: 5315675

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Compound Synonyms Capillone, (2E,4E)-1-phenylhexa-2,4-dien-1-one, 1-Phenyl-2,4-hexadiene-1-one, 1-PHENYLHEXA-2,4-DIEN-1-ONE, (2E,4E)-1-phenyl-2,4-hexadien-1-one, 5736-28-7, SCHEMBL19209055, CHEBI:80803, (2E,4E)-1-phenyl-hexa-2,4-dien-1-one, C16928, Q27149846, 112708-70-0
Topological Polar Surface Area 17.1
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 13.0
Isotope Atom Count 0.0
Molecular Complexity 207.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name (2E,4E)-1-phenylhexa-2,4-dien-1-one
Prediction Hob 1.0
Xlogp 3.1
Molecular Formula C12H12O
Prediction Swissadme 0.0
Inchi Key GHNBEBDYYSVNEK-XPQLPGEHSA-N
Fcsp3 0.0833333333333333
Logs -2.811
Rotatable Bond Count 3.0
Logd 2.744
Compound Name Capillone
Prediction Hob Swissadme 0.0
Exact Mass 172.089
Formal Charge 0.0
Monoisotopic Mass 172.089
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 172.22
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 2.0
Esol -2.985445861538462
Inchi InChI=1S/C12H12O/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h2-10H,1H3/b3-2+,10-5+
Smiles C/C=C/C=C/C(=O)C1=CC=CC=C1
Nring 1.0
Defined Bond Stereocenter Count 2.0