CID 39232782
PubChem CID
39232782
Structure
Molecular Formula
Status
Non-live
Molecular Weight
266.27 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
5-(3-methoxyphenyl)-1H-indole-2-carboxylate
InChI=1S/C16H13NO3/c1-20-13-4-2-3-10(8-13)11-5-6-14-12(7-11)9-15(17-14)16(18)19/h2-9,17H,1H3,(H,18,19)/p-1
MJCLJWLUILQGPA-UHFFFAOYSA-M
COC1=CC=CC(=C1)C2=CC3=C(C=C2)NC(=C3)C(=O)[O-]
C16H12NO3-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
266.27 g/mol
Property Name
XLogP3-AA
Property Value
4.2
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
266.08171824 g/mol
Property Name
Monoisotopic Mass
Property Value
266.08171824 g/mol
Property Name
Topological Polar Surface Area
Property Value
65.2 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
354
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