CID 35906188
PubChem CID
35906188
Structure
Molecular Formula
Status
Non-live
Molecular Weight
311.4 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-(2-methoxyphenyl)azanium
InChI=1S/C19H22N2O2/c1-14(20-17-9-5-6-10-18(17)23-2)19(22)21-12-11-15-7-3-4-8-16(15)13-21/h3-10,14,20H,11-13H2,1-2H3/p+1/t14-/m1/s1
LVFIDWMLMFDTKJ-CQSZACIVSA-O
C[C@H](C(=O)N1CCC2=CC=CC=C2C1)[NH2+]C3=CC=CC=C3OC
C19H23N2O2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
311.4 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
2
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
311.175952981 g/mol
Property Name
Monoisotopic Mass
Property Value
311.175952981 g/mol
Property Name
Topological Polar Surface Area
Property Value
46.2 A^2
Property Name
Heavy Atom Count
Property Value
23
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
401
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
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
Old substance
CONTENTS