[3H]CGP27492   

GtoPdb Ligand ID: 5381

Synonyms: [3H]-3-APPA | [3H]-CGP27492 | [3H]3-APPA
   
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 63.32
Molecular weight 122.04
XLogP -1.27
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES NCCC[P+](=O)O
Isomeric SMILES NCCC[P+](=O)O
InChI InChI=1S/C3H8NO2P/c4-2-1-3-7(5)6/h1-4H2/p+1
InChI Key MQIWYGZSHIXQIU-UHFFFAOYSA-O
Classification
Compound class Synthetic organic
IUPAC Name
(3-aminopropyl)(hydroxy)oxo-$l^{5}-phosphanylium
Synonyms
[3H]-3-APPA | [3H]-CGP27492 | [3H]3-APPA
Database Links
GtoPdb PubChem SID 178102039
PubChem CID 6335948
Search Google for chemical match using the InChIKey MQIWYGZSHIXQIU-UHFFFAOYSA-O
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Search UniChem for chemical match using the InChIKey MQIWYGZSHIXQIU-UHFFFAOYSA-O
Search UniChem for chemicals with the same backbone MQIWYGZSHIXQIU