CID 5387863
PubChem CID
5387863
Structure
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
259.26 g/mol
Dates
- Create:2005-03-26
Chemical Structure Depiction
7-methoxy-1-methyl-8-nitro-3,4-dihydro-2H-pyrido[3,4-b]indole
InChI=1S/C13H13N3O3/c1-7-11-9(5-6-14-7)8-3-4-10(19-2)13(16(17)18)12(8)15-11/h3-4,14H,5-6H2,1-2H3
URKXIIFMSXFOLA-UHFFFAOYSA-N
CC1=C2C(=C3C=CC(=C(C3=N2)[N+](=O)[O-])OC)CCN1
C13H13N3O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
259.26 g/mol
Property Name
XLogP3-AA
Property Value
1.2
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
1
Property Name
Exact Mass
Property Value
259.09569129 g/mol
Property Name
Monoisotopic Mass
Property Value
259.09569129 g/mol
Property Name
Topological Polar Surface Area
Property Value
79.4 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
630
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
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CONTENTS