Free Chemical Databases
-
[Synonyms]
NSC61795
NCI60_005368
94064-79-6
[Structure]
[ Properties Computed from Structure]
Molecular Weight 249.26404 [g/mol] Molecular Formula C16H11NO2 XLogP 2.9 H-Bond Donor 1 H-Bond Acceptor 2 Rotatable Bond Count 2 Tautomer Count 2 Exact Mass 249.078979 MonoIsotopic Mass 249.078979 Topological Polar Surface Area 60.2 Heavy Atom Count 19 Formal Charge 0 Complexity 432 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: 1-oxo-3-phenylindene-2-carboxamide
Canonical SMILES: C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C32)C(=O)N
InChI: InChI=1/C16H11NO2/c17-16(19)14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)15
(14)18/h1-9H,(H2,17,19)/f/h17H2
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