tolazoline   

GtoPdb Ligand ID: 7310

Synonyms: TCMDC-125842
tolazoline is an approved drug (FDA (1948))
Compound class: Synthetic organic
Comment: Tolazoline is a non-selective α-adrenoceptor antagonist.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 24.39
Molecular weight 160.1
XLogP 1.5
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES c1ccc(cc1)CC1=NCCN1
Isomeric SMILES c1ccc(cc1)CC1=NCCN1
InChI InChI=1S/C10H12N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)
InChI Key JIVZKJJQOZQXQB-UHFFFAOYSA-N