CID 30061065
PubChem CID
30061065
Structure
Molecular Formula
Status
Non-live
Molecular Weight
282.38 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
[3-(3-amino-4-fluoroanilino)-3-oxopropyl]-dipropylazanium
InChI=1S/C15H24FN3O/c1-3-8-19(9-4-2)10-7-15(20)18-12-5-6-13(16)14(17)11-12/h5-6,11H,3-4,7-10,17H2,1-2H3,(H,18,20)/p+1
RZNDYBONMHHMCQ-UHFFFAOYSA-O
CCC[NH+](CCC)CCC(=O)NC1=CC(=C(C=C1)F)N
C15H25FN3O+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
282.38 g/mol
Property Name
XLogP3-AA
Property Value
2.8
Property Name
Hydrogen Bond Donor Count
Property Value
3
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
8
Property Name
Exact Mass
Property Value
282.19816559 g/mol
Property Name
Monoisotopic Mass
Property Value
282.19816559 g/mol
Property Name
Topological Polar Surface Area
Property Value
59.6 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
282
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