CID 39233882
PubChem CID
39233882
Structure
Molecular Formula
Status
Non-live
Molecular Weight
305.1 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
6-(3,4-dichlorophenyl)-1H-indole-2-carboxylate
InChI=1S/C15H9Cl2NO2/c16-11-4-3-8(5-12(11)17)9-1-2-10-7-14(15(19)20)18-13(10)6-9/h1-7,18H,(H,19,20)/p-1
YLBLABAPPGTEPQ-UHFFFAOYSA-M
C1=CC2=C(C=C1C3=CC(=C(C=C3)Cl)Cl)NC(=C2)C(=O)[O-]
C15H8Cl2NO2-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
305.1 g/mol
Property Name
XLogP3-AA
Property Value
5.4
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
1
Property Name
Exact Mass
Property Value
303.9932089 g/mol
Property Name
Monoisotopic Mass
Property Value
303.9932089 g/mol
Property Name
Topological Polar Surface Area
Property Value
55.9 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
373
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