Free Chemical Databases
-
[Synonyms]
NSC157554
[Structure]
[ Properties Computed from Structure]
Molecular Weight 319.40354 [g/mol] Molecular Formula C19H21N5 XLogP 0.8 H-Bond Donor 0 H-Bond Acceptor 5 Rotatable Bond Count 10 Tautomer Count 2 Exact Mass 319.179696 MonoIsotopic Mass 319.179696 Topological Polar Surface Area 108 Heavy Atom Count 24 Formal Charge 0 Complexity 470 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 4-[6-(1,5-dicyanopentan-3-yl)pyridin-2-yl]heptanedinitrile
Canonical SMILES: C1=CC(=NC(=C1)C(CCC#N)CCC#N)C(CCC#N)CCC#N
InChI: InChI=1/C19H21N5/c20-12-2-6-16(7-3-13-21)18-10-1-11-19(24-18)17(8-4-14-
22)9-5-15-23/h1,10-11,16-17H,2-9H2
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