Free Chemical Databases
-
[Synonyms]
NSC91307
93328-89-3
[Structure]
[ Properties Computed from Structure]
Molecular Weight 277.27414 [g/mol] Molecular Formula C17H11NO3 XLogP 2.3 H-Bond Donor 1 H-Bond Acceptor 3 Rotatable Bond Count 2 Tautomer Count 2 Exact Mass 277.073893 MonoIsotopic Mass 277.073893 Topological Polar Surface Area 63.2 Heavy Atom Count 21 Formal Charge 0 Complexity 488 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: 1,4-dioxo-N-phenylnaphthalene-2-carboxamide
Canonical SMILES: C1=CC=C(C=C1)NC(=O)C2=CC(=O)C3=CC=CC=C3C2=O
InChI: InChI=1/C17H11NO3/c19-15-10-14(16(20)13-9-5-4-8-12(13)15)17(21)18-11-6-
2-1-3-7-11/h1-10H,(H,18,21)/f/h18H
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