dibenzoxazepine   Click here for help

GtoPdb Ligand ID: 6472

Synonyms: CR gas
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 0
Topological polar surface area 21.59
Molecular weight 195.07
XLogP 2.83
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES c1ccc2c(c1)Oc1ccccc1C=N2
Isomeric SMILES c1ccc2c(c1)Oc1ccccc1C=N2
InChI InChI=1S/C13H9NO/c1-3-7-12-10(5-1)9-14-11-6-2-4-8-13(11)15-12/h1-9H
InChI Key NPUACKRELIJTFM-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
benzo[b][1,5]benzoxazepine
Synonyms Click here for help
CR gas
Database Links Click here for help
CAS Registry No. 257-07-8 (source: SciFinder)
ChEMBL Ligand CHEMBL1085100
GtoPdb PubChem SID 178103086
PubChem CID 9213
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Wikipedia Dibenzoxazepine