2-METHYLNORHARMAN IODIDE

/static/temp/default.svg Search structure
Keyword(s): Human Neurotoxin
Molecule Category Salt-form
EPA CompTox DTXSID90897168

Structure

InChI Key MARQLFJLMKVMKJ-UHFFFAOYSA-N
Smiles [I-].CN1C=CC2C([NH2+]C3=C2C=CC=C3)=C1
InChI
InChI=1/C12H12N2.HI/c1-14-7-6-10-9-4-2-3-5-11(9)13-12(10)8-14;/h2-8,10,13H,1H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H13IN2
Molecular Weight 312.01
AlogP 3.11
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 15.27
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 5667-11-8
NORMAN SUSDAT
CONTENTS