27746-02-7
AlkaPlorer ID: AK080647
Synonym: None
IUPAC Name: 4-bromo-1H-pyrrole-2-carboxylic acid
Structure
SMILES: O=C(O)C1=CC(Br)=CN1
InChI: InChI=1S/C5H4BrNO2/c6-3-1-4(5(8)9)7-2-3/h1-2,7H,(H,8,9)
InChIKey: YUWKEVJEMKKVGQ-UHFFFAOYSA-N
Reference
Novel bioactive bromopyrrole alkaloids from the Mediterranean sponge Axinella verrucosa
PubChem CID: 2741381
CAS: 27746-02-7
LOTUS: LTS0202300
COCONUT: CNP0268142
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Axinella verrucosa | Axinella | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 189.996
TPSA？: 53.09
MolLogP？: 1.4753999999999998
Number of H-Donors: 2
Number of H-Acceptors: 1
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|