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Home > Indoles and Oxindole > 1307803-48-0
1307803-48-0 | JWH 073 6-hydroxyindole metabolite
CAS No: 1307803-48-0 Catalog No: AG009BNT MDL No:
Product Description
Catalog Number:
AG009BNT
Chemical Name:
JWH 073 6-hydroxyindole metabolite
CAS Number:
1307803-48-0
Molecular Formula:
C23H21NO2
Molecular Weight:
343.4183
IUPAC Name:
(1-butyl-6-hydroxyindol-3-yl)-naphthalen-1-ylmethanone
InChI:
InChI=1S/C23H21NO2/c1-2-3-13-24-15-21(19-12-11-17(25)14-22(19)24)23(26)20-10-6-8-16-7-4-5-9-18(16)20/h4-12,14-15,25H,2-3,13H2,1H3
InChI Key:
MDXHTLBJLOYLRK-UHFFFAOYSA-N
SMILES:
CCCCn1cc(c2c1cc(O)cc2)C(=O)c1cccc2c1cccc2
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.157g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
343.426g/mol
Monoisotopic Mass:
343.157g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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