1-Hydroxy-4-oxo-2,5-cyclohexadiene-1-acetic acid; 3-Bromo, amide
AlkaPlorer ID: AK301701
Synonym: 3-Bromoverongiaquinol
IUPAC Name: 2-(3-bromo-1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetamide
Structure
SMILES: NC(=O)CC1(O)C=CC(=O)C(Br)=C1
InChI: InChI=1S/C8H8BrNO3/c9-5-3-8(13,4-7(10)12)2-1-6(5)11/h1-3,13H,4H2,(H2,10,12)
InChIKey: IKAYLXNAYBFVMC-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Suberea creba | Suberea | Aplysinellidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
| None | None | None | Tricladida | Rhabditophora | Platyhelminthes | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 246.06
TPSA？: 80.39000000000001
MolLogP？: 0.0105999999999998
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|