CID 40633346
PubChem CID
40633346
Structure
Molecular Formula
Status
Non-live
Molecular Weight
226.40 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
[(2R)-heptan-2-yl]-[(3-methylthiophen-2-yl)methyl]azanium
InChI=1S/C13H23NS/c1-4-5-6-7-12(3)14-10-13-11(2)8-9-15-13/h8-9,12,14H,4-7,10H2,1-3H3/p+1/t12-/m1/s1
DSACYTXUPCJUEN-GFCCVEGCSA-O
CCCCC[C@@H](C)[NH2+]CC1=C(C=CS1)C
C13H24NS+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
226.40 g/mol
Property Name
XLogP3-AA
Property Value
4.1
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
7
Property Name
Exact Mass
Property Value
226.16294594 g/mol
Property Name
Monoisotopic Mass
Property Value
226.16294594 g/mol
Property Name
Topological Polar Surface Area
Property Value
44.9 A^2
Property Name
Heavy Atom Count
Property Value
15
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
161
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