Free Chemical Databases
-
[Synonyms]
NSC36589
6267-87-4
[Structure]
[ Properties Computed from Structure]
Molecular Weight 232.24012 [g/mol] Molecular Formula C14H8N4 XLogP 2.5 H-Bond Donor 0 H-Bond Acceptor 4 Rotatable Bond Count 1 Exact Mass 232.074896 MonoIsotopic Mass 232.074896 Topological Polar Surface Area 76.3 Heavy Atom Count 18 Formal Charge 0 Complexity 500 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: 2-(3-methylindol-1-yl)ethene-1,1,2-tricarbonitrile
Canonical SMILES: CC1=CN(C2=CC=CC=C12)C(=C(C#N)C#N)C#N
InChI: InChI=1/C14H8N4/c1-10-9-18(13-5-3-2-4-12(10)13)14(8-17)11(6-15)7-16/h2-
5,9H,1H3
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