CID 51521542
PubChem CID
51521542
Structure
Molecular Formula
Status
Non-live
Molecular Weight
438.2 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
3-[(4E)-4-[(4-bromophenyl)hydrazinylidene]-5-oxidopyrazol-3-yl]-1-methyl-4-oxoquinolin-2-olate
InChI=1S/C19H14BrN5O3/c1-25-13-5-3-2-4-12(13)17(26)14(19(25)28)15-16(18(27)24-22-15)23-21-11-8-6-10(20)7-9-11/h2-9,21,28H,1H3,(H,23,24,27)/p-2
INJLJTFKDLSXKC-UHFFFAOYSA-L
CN1C2=CC=CC=C2C(=O)C(=C1[O-])C\3=NN=C(/C3=N/NC4=CC=C(C=C4)Br)[O-]
C19H12BrN5O3-2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
438.2 g/mol
Property Name
XLogP3-AA
Property Value
5.3
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
8
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
437.01235 g/mol
Property Name
Monoisotopic Mass
Property Value
437.01235 g/mol
Property Name
Topological Polar Surface Area
Property Value
116 A^2
Property Name
Heavy Atom Count
Property Value
28
Property Name
Formal Charge
Property Value
-2
Property Name
Complexity
Property Value
782
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
1
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