CID 47168612
PubChem CID
47168612
Structure
Molecular Formula
Status
Non-live
Molecular Weight
255.76 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
(2E,4E)-N-[1-(5-chlorothiophen-2-yl)ethyl]hexa-2,4-dienamide
InChI=1S/C12H14ClNOS/c1-3-4-5-6-12(15)14-9(2)10-7-8-11(13)16-10/h3-9H,1-2H3,(H,14,15)/b4-3+,6-5+
WTPYJDPYJKQGDB-VNKDHWASSA-N
C/C=C/C=C/C(=O)NC(C)C1=CC=C(S1)Cl
C12H14ClNOS
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
255.76 g/mol
Property Name
XLogP3-AA
Property Value
3.6
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
4
Property Name
Exact Mass
Property Value
255.0484629 g/mol
Property Name
Monoisotopic Mass
Property Value
255.0484629 g/mol
Property Name
Topological Polar Surface Area
Property Value
57.3A^2
Property Name
Heavy Atom Count
Property Value
16
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
291
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
1
Property Name
Defined Bond Stereocenter Count
Property Value
2
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