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16576-23-1 | Methanone, 1-isoquinolinylphenyl-
CAS No: 16576-23-1 Catalog No: AG001WBY MDL No:
Product Description
Catalog Number:
AG001WBY
Chemical Name:
Methanone, 1-isoquinolinylphenyl-
CAS Number:
16576-23-1
Molecular Formula:
C16H13NO
Molecular Weight:
235.2805
IUPAC Name:
isoquinolin-1-yl(phenyl)methanone
InChI:
InChI=1S/C16H11NO/c18-16(13-7-2-1-3-8-13)15-14-9-5-4-6-12(14)10-11-17-15/h1-11H
InChI Key:
MDWCIKACMBMJFA-UHFFFAOYSA-N
SMILES:
O=CC1(CC=CC=C1)c1nccc2c1cccc2
NSC Number:
131470
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.084g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.27g/mol
Monoisotopic Mass:
233.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Synthesis of quinolinyl and isoquinolinyl phenyl ketones as novel agonists for the cannabinoid CB2 receptor. | Bioorganic & medicinal chemistry 20090701 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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