CID 9581491
PubChem CID
9581491
Structure
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
440.2 g/mol
Dates
- Create:2006-10-24
Chemical Structure Depiction
(3E)-3-[(4Z)-4-[(4-bromophenyl)hydrazinylidene]-5-oxopyrazolidin-3-ylidene]-1-methylquinoline-2,4-dione
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/h2-9,21-22H,1H3,(H,24,27)/b15-14+,23-16-
HDNXVXJLBNFEGJ-WGPCLECKSA-N
CN1C2=CC=CC=C2C(=O)/C(=C\3/C(=N/NC4=CC=C(C=C4)Br)/C(=O)NN3)/C1=O
C19H14BrN5O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
440.2 g/mol
Property Name
XLogP3-AA
Property Value
3.4
Property Name
Hydrogen Bond Donor Count
Property Value
3
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
439.02800 g/mol
Property Name
Monoisotopic Mass
Property Value
439.02800 g/mol
Property Name
Topological Polar Surface Area
Property Value
103 A^2
Property Name
Heavy Atom Count
Property Value
28
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
757
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
2
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
Old substance
CONTENTS