CID 42579724
PubChem CID
42579724
Structure
Molecular Formula
Status
Non-live
Molecular Weight
188.25 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
[(1R)-2-hydroxy-1-naphthalen-1-ylethyl]azanium
InChI=1S/C12H13NO/c13-12(8-14)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12,14H,8,13H2/p+1/t12-/m0/s1
GIJHQOMBLOZMEG-LBPRGKRZSA-O
C1=CC=C2C(=C1)C=CC=C2[C@H](CO)[NH3+]
C12H14NO+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
188.25 g/mol
Property Name
XLogP3-AA
Property Value
1.4
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
188.107539070 g/mol
Property Name
Monoisotopic Mass
Property Value
188.107539070 g/mol
Property Name
Topological Polar Surface Area
Property Value
47.9 A^2
Property Name
Heavy Atom Count
Property Value
14
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
183
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
Old substance
CONTENTS