CID 41304170
PubChem CID
41304170
Structure
Molecular Formula
Status
Non-live
Molecular Weight
387.4 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
5-ethoxy-4-methoxy-2-nitro-N-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)benzamide
InChI=1S/C19H22N4O5/c1-3-28-17-10-14(15(23(25)26)11-16(17)27-2)19(24)21-13-6-7-18(20-12-13)22-8-4-5-9-22/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,21,24)/p+1
LVUUWCPMJDIOIJ-UHFFFAOYSA-O
CCOC1=C(C=C(C(=C1)C(=O)NC2=C[NH+]=C(C=C2)N3CCCC3)[N+](=O)[O-])OC
C19H23N4O5+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
387.4 g/mol
Property Name
XLogP3-AA
Property Value
2.9
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
387.16684485 g/mol
Property Name
Monoisotopic Mass
Property Value
387.16684485 g/mol
Property Name
Topological Polar Surface Area
Property Value
111 A^2
Property Name
Heavy Atom Count
Property Value
28
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
537
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
Old substance
Old substance
Old substance
CONTENTS