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1798021-82-5 | PB-228-HydroxyisoquinolineIsomer
CAS No: 1798021-82-5 Catalog No: AG01E3AY MDL No:
Product Description
Catalog Number:
AG01E3AY
Chemical Name:
PB-228-HydroxyisoquinolineIsomer
CAS Number:
1798021-82-5
IUPAC Name:
isoquinolin-8-yl 1-pentylindole-3-carboxylate
InChI:
InChI=1S/C23H22N2O2/c1-2-3-6-14-25-16-20(18-9-4-5-10-21(18)25)23(26)27-22-11-7-8-17-12-13-24-15-19(17)22/h4-5,7-13,15-16H,2-3,6,14H2,1H3
InChI Key:
FCEZWMICUGXUDA-UHFFFAOYSA-N
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.168g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.441g/mol
Monoisotopic Mass:
358.168g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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