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Home > Indoles and Oxindole > 1307803-49-1
1307803-49-1 | JWH 073 7-hydroxyindole metabolite
CAS No: 1307803-49-1 Catalog No: AG009BNU MDL No:
Product Description
Catalog Number:
AG009BNU
Chemical Name:
JWH 073 7-hydroxyindole metabolite
CAS Number:
1307803-49-1
Molecular Formula:
C23H21NO2
Molecular Weight:
343.4183
IUPAC Name:
(1-butyl-7-hydroxyindol-3-yl)-naphthalen-1-ylmethanone
InChI:
InChI=1S/C23H21NO2/c1-2-3-14-24-15-20(18-11-7-13-21(25)22(18)24)23(26)19-12-6-9-16-8-4-5-10-17(16)19/h4-13,15,25H,2-3,14H2,1H3
InChI Key:
RERSSQCTZKUWMM-UHFFFAOYSA-N
SMILES:
CCCCn1cc(c2c1c(O)ccc2)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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