Free Chemical Databases
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[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 276.28938 [g/mol] Molecular Formula C17H12N2O2 XLogP 2.5 H-Bond Donor 1 H-Bond Acceptor 3 Rotatable Bond Count 1 Tautomer Count 4 Exact Mass 276.089878 MonoIsotopic Mass 276.089878 Topological Polar Surface Area 54.6 Heavy Atom Count 21 Formal Charge 0 Complexity 614 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: 3-(2-hydroxy-1-methylindol-3-yl)indol-2-one
Canonical SMILES: CN1C2=CC=CC=C2C(=C1O)C3=C4C=CC=CC4=NC3=O
InChI: InChI=1/C17H12N2O2/c1-19-13-9-5-3-7-11(13)15(17(19)21)14-10-6-2-4-8-12
(10)18-16(14)20/h2-9,21H,1H3
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