APA

Ligand id: 5139

Name: APA

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 61.27
Molecular weight 90.08
XLogP -1.43
No. Lipinski's rules broken 0

Molecular properties generated using the CDK
Classification
Compound class Synthetic organic
IUPAC Name
O-(3-aminopropyl)hydroxylamine
Synonyms
1-aminooxy-3-aminopropane
Database Links
CAS Registry No. 98532-00-4
ChEMBL Ligand CHEMBL281021
PubChem CID 65020
RCSB PDB Ligand XAP
Search Google for chemical match using the InChIKey VSZFWDPIWSPZON-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VSZFWDPIWSPZON
Search UniChem for chemical match using the InChIKey VSZFWDPIWSPZON-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone VSZFWDPIWSPZON