CID 28963620
PubChem CID
28963620
Structure
Molecular Formula
Status
Non-live
Molecular Weight
266.32 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
[4-(4-ethylpiperazin-4-ium-1-yl)-3-nitrophenyl]methanol
InChI=1S/C13H19N3O3/c1-2-14-5-7-15(8-6-14)12-4-3-11(10-17)9-13(12)16(18)19/h3-4,9,17H,2,5-8,10H2,1H3/p+1
DRANGLBRGNQNQN-UHFFFAOYSA-O
CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)CO)[N+](=O)[O-]
C13H20N3O3+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
266.32 g/mol
Property Name
XLogP3-AA
Property Value
1.2
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
3
Property Name
Exact Mass
Property Value
266.15046651 g/mol
Property Name
Monoisotopic Mass
Property Value
266.15046651 g/mol
Property Name
Topological Polar Surface Area
Property Value
73.7 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
300
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