C-Fluorocurine 

AlkaPlorer ID: AK298446

Synonym: Fluorocurine

IUPAC Name: (12E)-12-ethylidene-10-(hydroxymethyl)-14-methyl-9-aza-14-azoniapentacyclo[9.5.2.01,9.03,8.014,17]octadeca-3,5,7-trien-2-one

Structure

SMILES: C/C=C1/C[N+]2(C)CCC34C(=O)C5=CC=CC=C5N3C(CO)C1CC42

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InChI: InChI=1S/C20H25N2O2/c1-3-13-11-22(2)9-8-20-18(22)10-15(13)17(12-23)21(20)16-7-5-4-6-14(16)19(20)24/h3-7,15,17-18,23H,8-12H2,1-2H3/q+1/b13-3-

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InChIKey: IMTBHUUDGATBHM-DXNYSGJVSA-N

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Properties Information

Molecule Weight: 325.4320000000001

TPSA: 40.540000000000006

MolLogP: 1.9877

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information