Org 12962   Click here for help

GtoPdb Ligand ID: 170

Synonyms: Org-12962 | Org12962
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 28.16
Molecular weight 265.06
XLogP 2.87
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES FC(c1ccc(nc1Cl)N1CCNCC1)(F)F
Isomeric SMILES FC(c1ccc(nc1Cl)N1CCNCC1)(F)F
InChI InChI=1S/C10H11ClF3N3/c11-9-7(10(12,13)14)1-2-8(16-9)17-5-3-15-4-6-17/h1-2,15H,3-6H2
InChI Key QZYYPQAYSFBKPW-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-[6-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine
Synonyms Click here for help
Org-12962 | Org12962
Database Links Click here for help
CAS Registry No. 132834-56-1
ChEMBL Ligand CHEMBL506999
GtoPdb PubChem SID 135650777
PubChem CID 9796408
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Wikipedia Org 12962