CID 28963612
PubChem CID
28963612
Structure
Molecular Formula
Status
Non-live
Molecular Weight
280.34 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
[3-nitro-4-(4-propylpiperazin-4-ium-1-yl)phenyl]methanol
InChI=1S/C14H21N3O3/c1-2-5-15-6-8-16(9-7-15)13-4-3-12(11-18)10-14(13)17(19)20/h3-4,10,18H,2,5-9,11H2,1H3/p+1
LTIKJJKWSCFYFI-UHFFFAOYSA-O
CCC[NH+]1CCN(CC1)C2=C(C=C(C=C2)CO)[N+](=O)[O-]
C14H22N3O3+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
280.34 g/mol
Property Name
XLogP3-AA
Property Value
1.7
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
280.16611657 g/mol
Property Name
Monoisotopic Mass
Property Value
280.16611657 g/mol
Property Name
Topological Polar Surface Area
Property Value
73.7 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
313
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