CID 49451531
PubChem CID
49451531
Structure
Molecular Formula
Status
Non-live
Molecular Weight
289.15 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
4-[(3,4-dichlorophenyl)methyl]morpholine-2-carboxamide
InChI=1S/C12H14Cl2N2O2/c13-9-2-1-8(5-10(9)14)6-16-3-4-18-11(7-16)12(15)17/h1-2,5,11H,3-4,6-7H2,(H2,15,17)
YFAIIZUAXNWWMX-UHFFFAOYSA-N
C1COC(CN1CC2=CC(=C(C=C2)Cl)Cl)C(=O)N
C12H14Cl2N2O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
289.15 g/mol
Property Name
XLogP3-AA
Property Value
1.6
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
288.0432331 g/mol
Property Name
Monoisotopic Mass
Property Value
288.0432331 g/mol
Property Name
Topological Polar Surface Area
Property Value
55.6 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
304
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
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