A839977

Ligand id: 4122

Name: A839977

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 77.75
Molecular weight 412.06
XLogP 5.59
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-(2,3-dichlorophenyl)-N-{[2-(pyridin-2-yloxy)phenyl]methyl}-1H-1,2,3,4-tetrazol-5-amine
Synonyms
A 839977
A-839977
Database Links
CAS Registry No. 870061-27-1 (source: Scifinder)
ChEMBL Ligand CHEMBL1628691
PubChem CID 53325875
Search Google for chemical match using the InChIKey GMVNBKZQJFRFAR-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GMVNBKZQJFRFAR