CID 28600059
PubChem CID
28600059
Structure
Molecular Formula
Status
Non-live
Molecular Weight
214.24 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
1-[(E)-but-2-enyl]indole-2-carboxylate
InChI=1S/C13H13NO2/c1-2-3-8-14-11-7-5-4-6-10(11)9-12(14)13(15)16/h2-7,9H,8H2,1H3,(H,15,16)/p-1/b3-2+
PUZNSHKSWMXHOC-NSCUHMNNSA-M
C/C=C/CN1C2=CC=CC=C2C=C1C(=O)[O-]
C13H12NO2-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
214.24 g/mol
Property Name
XLogP3
Property Value
3.6
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
214.086803626 g/mol
Property Name
Monoisotopic Mass
Property Value
214.086803626 g/mol
Property Name
Topological Polar Surface Area
Property Value
45.1 A^2
Property Name
Heavy Atom Count
Property Value
16
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
282
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
CONTENTS