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CID 28152788

PubChem CID
28152788
Structure
CID 28152788_small.png
Molecular Formula
Status
Non-live
Molecular Weight
202.27 g/mol
Dates
  • Create:
    2009-05-28

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 28152788.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(6-methoxynaphthalen-2-yl)ethylazanium

2.1.2 InChI

InChI=1S/C13H15NO/c1-15-13-5-4-11-8-10(6-7-14)2-3-12(11)9-13/h2-5,8-9H,6-7,14H2,1H3/p+1

2.1.3 InChIKey

ZVFDBOOWCDSJEX-UHFFFAOYSA-O

2.1.4 SMILES

COC1=CC2=C(C=C1)C=C(C=C2)CC[NH3+]

2.2 Molecular Formula

C13H16NO+

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
202.27 g/mol
Property Name
XLogP3
Property Value
2.5
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
202.123189134 g/mol
Property Name
Monoisotopic Mass
Property Value
202.123189134 g/mol
Property Name
Topological Polar Surface Area
Property Value
36.9 A^2
Property Name
Heavy Atom Count
Property Value
15
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
195
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

5 Information Sources

CONTENTS