compound 1 [PMID: 15724976]

Ligand id: 7507

Name: compound 1 [PMID: 15724976]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 82.81
Molecular weight 196.11
XLogP 3.02
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[(2-nitrophenyl)amino]propylazanium
Database Links
ChEMBL Ligand CHEMBL3220205
DrugBank Ligand DB08291
PubChem CID 5276852
Search Google for chemical match using the InChIKey GVGDDEYVTBKACE-UHFFFAOYSA-O
Search Google for chemicals with the same backbone GVGDDEYVTBKACE
Search UniChem for chemical match using the InChIKey GVGDDEYVTBKACE-UHFFFAOYSA-O
Search UniChem for chemicals with the same backbone GVGDDEYVTBKACE