ENISAMIUM

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UKNOWN
UNII: 99SS65Q7OY

Structure
InChI Key QOEJDHLJOKRPJG-UHFFFAOYSA-O
Smile C[n+]1ccc(C(=O)NCc2ccccc2)cc1
InChI
InChI=1S/C14H14N2O/c1-16-9-7-13(8-10-16)14(17)15-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3/p+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H15N2O+
Molecular Weight 227.29
AlogP 1.44
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 32.98
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 17.0

Cross References

Resources Reference
ChEMBL CHEMBL1740071
EPA CompTox DTXSID60151421
FDA SRS 99SS65Q7OY
SureChEMBL SCHEMBL12069530
ZINC ZINC000002678883
CONTENTS