Free Chemical Databases
-
[Synonyms]
NSC354274
78942-65-1
[Structure]
[ Properties Computed from Structure]
Molecular Weight 267.27932 [g/mol] Molecular Formula C16H13NO3 XLogP 2.2 H-Bond Donor 3 H-Bond Acceptor 4 Rotatable Bond Count 3 Tautomer Count 59 Exact Mass 267.089543 MonoIsotopic Mass 267.089543 Topological Polar Surface Area 73.3 Heavy Atom Count 20 Formal Charge 0 Complexity 354 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-(4,7-dihydroxy-1H-indol-3-yl)-2-phenylethanone
Canonical SMILES: C1=CC=C(C=C1)CC(=O)C2=CNC3=C(C=CC(=C23)O)O
InChI: InChI=1/C16H13NO3/c18-12-6-7-13(19)16-15(12)11(9-17-16)14(20)8-10-4-2-1-
3-5-10/h1-7,9,17-19H,8H2
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