CID 28335013
PubChem CID
28335013
Structure
Molecular Formula
Status
Non-live
Molecular Weight
281.4 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-(3-methylphenyl)azanium
InChI=1S/C18H20N2O/c1-14-5-4-8-17(11-14)19-12-18(21)20-10-9-15-6-2-3-7-16(15)13-20/h2-8,11,19H,9-10,12-13H2,1H3/p+1
HNFJUCIRBNSYJH-UHFFFAOYSA-O
CC1=CC(=CC=C1)[NH2+]CC(=O)N2CCC3=CC=CC=C3C2
C18H21N2O+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
281.4 g/mol
Property Name
XLogP3-AA
Property Value
3.3
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
281.165388298 g/mol
Property Name
Monoisotopic Mass
Property Value
281.165388298 g/mol
Property Name
Topological Polar Surface Area
Property Value
36.9 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
357
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS