CID 5850813
PubChem CID
5850813
Structure
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
383.3 g/mol
Dates
- Create:2005-09-08
Chemical Structure Depiction
N-[(E)-(1-ethyl-2-oxoindol-3-ylidene)amino]-3,5-dinitrobenzamide
InChI=1S/C17H13N5O6/c1-2-20-14-6-4-3-5-13(14)15(17(20)24)18-19-16(23)10-7-11(21(25)26)9-12(8-10)22(27)28/h3-9H,2H2,1H3,(H,19,23)/b18-15+
MUMLYGMIKIRRQH-OBGWFSINSA-N
CCN1C2=CC=CC=C2/C(=N\NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])/C1=O
C17H13N5O6
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
383.3 g/mol
Property Name
XLogP3-AA
Property Value
2.9
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
7
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
383.08658315 g/mol
Property Name
Monoisotopic Mass
Property Value
383.08658315 g/mol
Property Name
Topological Polar Surface Area
Property Value
153 A^2
Property Name
Heavy Atom Count
Property Value
28
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
677
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
1
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