99102-23-5
AlkaPlorer ID: AK113397
Synonym: None
IUPAC Name: 2-[(6-bromo-1H-indol-3-yl)methylsulfanyl]ethanamine
Structure
SMILES: NCCSCC1=CNC2=C1C=CC(Br)=C2
InChI: InChI=1S/C11H13BrN2S/c12-9-1-2-10-8(7-15-4-3-13)6-14-11(10)5-9/h1-2,5-6,14H,3-4,7,13H2
InChIKey: OHXLINWEZJYSRC-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hydrastis canadensis | Hydrastis | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 285.21
TPSA？: 41.81
MolLogP？: 3.122300000000001
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|