CID 47311787
PubChem CID
47311787
Structure
Molecular Formula
Status
Non-live
Molecular Weight
279.76 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
(2E,4E)-N-(3-chloro-4-propoxyphenyl)hexa-2,4-dienamide
InChI=1S/C15H18ClNO2/c1-3-5-6-7-15(18)17-12-8-9-14(13(16)11-12)19-10-4-2/h3,5-9,11H,4,10H2,1-2H3,(H,17,18)/b5-3+,7-6+
KOEPRNKMMHVZGE-TWTPFVCWSA-N
CCCOC1=C(C=C(C=C1)NC(=O)/C=C/C=C/C)Cl
C15H18ClNO2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
279.76 g/mol
Property Name
XLogP3
Property Value
4.2
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
6
Property Name
Exact Mass
Property Value
279.1026065 g/mol
Property Name
Monoisotopic Mass
Property Value
279.1026065 g/mol
Property Name
Topological Polar Surface Area
Property Value
38.3 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
328
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
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