Structure

InChI Key AAQOQKQBGPPFNS-UHFFFAOYSA-N
Smile CC[N+](C)(C)Cc1ccccc1Br
InChI
InChI=1S/C11H17BrN/c1-4-13(2,3)9-10-7-5-6-8-11(10)12/h5-8H,4,9H2,1-3H3/q+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H17BrN+
Molecular Weight 243.17
AlogP 3.05
Hydrogen Bond Acceptor 0.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 0.0
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 13.0

Cross References

Resources Reference
ChEBI 3172
ChEMBL CHEMBL1199080
DrugBank DB01158
DrugCentral 394
EPA CompTox DTXSID3046958
FDA SRS RZR75EQ2KJ
Human Metabolome Database HMDB0015289
Guide to Pharmacology 7130
KEGG C06855
PharmGKB PA448662
PubChem 2431
SureChEMBL SCHEMBL15438
ZINC ZINC000000001041