JWH 073 4-hydroxyindole metabolite-d7

HCID 53394758

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Basic information

Standard SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])Cn1cc(C(=O)c2cccc3ccccc23)c2c(O)cccc21
InChIKey: DKIVMJXJKHHIRO-NCKGIQLSSA-N
Molecular formula: C23H21NO2
Average molar mass: 350.5 g/mol
Monoisotopic mass: 350.20116613

Names & identifiers

Preferred name: JWH 073 4-hydroxyindole metabolite-d7
IUPAC: [1-(2,2,3,3,4,4,4-heptadeuteriobutyl)-4-hydroxyindol-3-yl]-naphthalen-1-ylmethanone

Names & synonyms

JWH 073 4-hydroxyindole metabolite-d7DTXSID701017479HY-116485SCS-0312018(1-butyl-(2,2,3,3,4,4,4-d7)-4-hydroxy-1H-indol-3-yl)(naphthalen-1-yl)-methanone[1-(2,2,3,3,4,4,4-~2~H_7_)Butyl-4-hydroxy-1H-indol-3-yl](naphthalen-1-yl)methanone[1-(2,2,3,3,4,4,4-heptadeuteriobutyl)-4-hydroxyindol-3-yl]-naphthalen-1-ylmethanone

Database identifiers

PubChem CID: 53394758
DTXSID: DTXSID701017479

Properties

Computed structural properties

XLogP: 5.4
Topological polar surface area: 42.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 26
Formal charge: 0
Complexity: 493

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