Free Chemical Databases
-
[Synonyms]
NSC174243
65260-37-9
[Structure]
[ Properties Computed from Structure]
Molecular Weight 281.3505 [g/mol] Molecular Formula C21H15N XLogP 5.8 H-Bond Donor 0 H-Bond Acceptor 1 Rotatable Bond Count 3 Exact Mass 281.120449 MonoIsotopic Mass 281.120449 Topological Polar Surface Area 23.8 Heavy Atom Count 22 Formal Charge 0 Complexity 406 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 1 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 2-phenyl-3-(4-phenylphenyl)prop-2-enenitrile
Canonical SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C=C(C#N)C3=CC=CC=C3
InChI: InChI=1/C21H15N/c22-16-21(19-9-5-2-6-10-19)15-17-11-13-20(14-12-17)18-7-
3-1-4-8-18/h1-15H
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