CID 29964400
PubChem CID
29964400
Structure
Molecular Formula
Status
Non-live
Molecular Weight
288.19 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
1-(3,4-dichlorophenyl)-2-(4-methylpiperazin-1-ium-1-yl)ethanone
InChI=1S/C13H16Cl2N2O/c1-16-4-6-17(7-5-16)9-13(18)10-2-3-11(14)12(15)8-10/h2-3,8H,4-7,9H2,1H3/p+1
YSUGMCBLATUTSV-UHFFFAOYSA-O
CN1CC[NH+](CC1)CC(=O)C2=CC(=C(C=C2)Cl)Cl
C13H17Cl2N2O+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
288.19 g/mol
Property Name
XLogP3-AA
Property Value
2.7
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
3
Property Name
Exact Mass
Property Value
287.0717936 g/mol
Property Name
Monoisotopic Mass
Property Value
287.0717936 g/mol
Property Name
Topological Polar Surface Area
Property Value
24.8 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
293
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