CID 56729783
PubChem CID
56729783
Structure
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
433.9 g/mol
Dates
- Create:2012-03-08
Chemical Structure Depiction
2-chloro-N-[(Z)-[2-oxo-1-(3-phenoxypropyl)indol-3-ylidene]amino]benzamide
InChI=1S/C24H20ClN3O3/c25-20-13-6-4-11-18(20)23(29)27-26-22-19-12-5-7-14-21(19)28(24(22)30)15-8-16-31-17-9-2-1-3-10-17/h1-7,9-14H,8,15-16H2,(H,27,29)/b26-22-
QJCADZYLBGRBRV-ROMGYVFFSA-N
C1=CC=C(C=C1)OCCCN2C3=CC=CC=C3/C(=N/NC(=O)C4=CC=CC=C4Cl)/C2=O
C24H20ClN3O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
433.9 g/mol
Property Name
XLogP3-AA
Property Value
5.5
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
7
Property Name
Exact Mass
Property Value
433.1193192 g/mol
Property Name
Monoisotopic Mass
Property Value
433.1193192 g/mol
Property Name
Topological Polar Surface Area
Property Value
71 A^2
Property Name
Heavy Atom Count
Property Value
31
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
664
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
Old substance
CONTENTS