Free Chemical Databases
-
[Synonyms]
MLS000736732
NSC66122
SMR000528306
5273-56-3
[Structure]
[ Properties Computed from Structure]
Molecular Weight 284.35444 [g/mol] Molecular Formula C20H16N2 XLogP 4.5 H-Bond Donor 0 H-Bond Acceptor 2 Rotatable Bond Count 4 Exact Mass 284.131349 MonoIsotopic Mass 284.131349 Topological Polar Surface Area 25.8 Heavy Atom Count 22 Formal Charge 0 Complexity 326 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 2 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 3,6-bis(2-phenylethenyl)pyridazine
Canonical SMILES: C1=CC=C(C=C1)C=CC2=NN=C(C=C2)C=CC3=CC=CC=C3
InChI: InChI=1/C20H16N2/c1-3-7-17(8-4-1)11-13-19-15-16-20(22-21-19)14-12-18-9-
5-2-6-10-18/h1-16H
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