halothane   

GtoPdb Ligand ID: 2401

Synonyms: Fluothane®
halothane is an approved drug (FDA (1958))
Compound class: Synthetic organic
Comment: Halothane is a volatile anaesthetic which causes rapid anaesthesia, but requires use of additional nitrous oxide and/or neuromuscular blocking agents to be fully effective.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 0
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 0
Molecular weight 195.89
XLogP 3.16
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES ClC(C(F)(F)F)Br
Isomeric SMILES ClC(C(F)(F)F)Br
InChI InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H
InChI Key BCQZXOMGPXTTIC-UHFFFAOYSA-N
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InChI standard key Download

Molecular structure representations generated using Open Babel