6-Benzo[1,3]dioxol-5-yl-hexa-2,5-dienoic acid isobutylamide

AlkaPlorer ID: AK011025

Synonym: None

IUPAC Name: None

Structure

SMILES: O=C(NCC(C)C)/C=C/C/C=C/C1=CC=C2C(OCO2)=C1

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InChI: InChI=1S/C17H21NO3/c1-13(2)11-18-17(19)7-5-3-4-6-14-8-9-15-16(10-14)21-12-20-15/h4-10,13H,3,11-12H2,1-2H3,(H,18,19)/b6-4+,7-5+

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InChIKey: SCSJJEHGLLDVAG-YDFGWWAZSA-N

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Properties Information

Molecule Weight: 287.35900000000004

TPSA: 47.56

MolLogP: 3.147000000000002

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information