Structure

InChI Key VWLHWLSRQJQWRG-UHFFFAOYSA-O
Smiles CC[N+](C)(C)c1cccc(O)c1
InChI
InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16NO+
Molecular Weight 166.24
AlogP 1.98
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 20.23
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 312-48-1
ChEBI 251408
ChEMBL CHEMBL1104
DrugBank DB01010
DrugCentral 988
FDA SRS 70FP3JLY7N
Human Metabolome Database HMDB0015145
Guide to Pharmacology 9073
KEGG C06976
PDB EDR
PharmGKB PA449437
PubChem 3202
SureChEMBL SCHEMBL34790
ZINC ZINC000000001341