CID 28205246
PubChem CID
28205246
Structure
Molecular Formula
Status
Non-live
Molecular Weight
245.34 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
[7-(3-ethynylanilino)-7-oxoheptyl]azanium
InChI=1S/C15H20N2O/c1-2-13-8-7-9-14(12-13)17-15(18)10-5-3-4-6-11-16/h1,7-9,12H,3-6,10-11,16H2,(H,17,18)/p+1
SNXNPGZMMGWVPS-UHFFFAOYSA-O
C#CC1=CC(=CC=C1)NC(=O)CCCCCC[NH3+]
C15H21N2O+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
245.34 g/mol
Property Name
XLogP3-AA
Property Value
2
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
8
Property Name
Exact Mass
Property Value
245.165388298 g/mol
Property Name
Monoisotopic Mass
Property Value
245.165388298 g/mol
Property Name
Topological Polar Surface Area
Property Value
56.7 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
292
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