CID 28754797
PubChem CID
28754797
Structure
Molecular Formula
Status
Non-live
Molecular Weight
287.33 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
2-[4-[(2-phenoxyacetyl)amino]phenoxy]ethylazanium
InChI=1S/C16H18N2O3/c17-10-11-20-15-8-6-13(7-9-15)18-16(19)12-21-14-4-2-1-3-5-14/h1-9H,10-12,17H2,(H,18,19)/p+1
JQKVAFJZGIXULF-UHFFFAOYSA-O
C1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)OCC[NH3+]
C16H19N2O3+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
287.33 g/mol
Property Name
XLogP3
Property Value
1.8
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
7
Property Name
Exact Mass
Property Value
287.13956747 g/mol
Property Name
Monoisotopic Mass
Property Value
287.13956747 g/mol
Property Name
Topological Polar Surface Area
Property Value
75.2 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
298
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