loreclezole   Click here for help

GtoPdb Ligand ID: 5466

Synonyms: R 72063
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 30.71
Molecular weight 272.96
XLogP 3.71
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Clc1ccc(c(c1)Cl)C(=Cn1cncn1)Cl
Isomeric SMILES Clc1ccc(c(c1)Cl)/C(=C/n1cncn1)/Cl
InChI InChI=1S/C10H6Cl3N3/c11-7-1-2-8(9(12)3-7)10(13)4-16-6-14-5-15-16/h1-6H/b10-4-
InChI Key XGLHZTBDUXXHOM-WMZJFQQLSA-N
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InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel