Free Chemical Databases
-
[Synonyms]
NSC236607
76325-80-9
[Structure]
[ Properties Computed from Structure]
Molecular Weight 325.40152 [g/mol] Molecular Formula C20H23NO3 XLogP 3.3 H-Bond Donor 2 H-Bond Acceptor 3 Rotatable Bond Count 3 Tautomer Count 4 Exact Mass 325.167794 MonoIsotopic Mass 325.167794 Topological Polar Surface Area 66.4 Heavy Atom Count 24 Formal Charge 0 Complexity 544 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 1 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 3-[2-(1-adamantyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
Canonical SMILES: C1C2CC3CC1CC(C2)(C3)C(=O)CC4(C5=CC=CC=C5NC4=O)O
InChI: InChI=1/C20H23NO3/c22-17(19-8-12-5-13(9-19)7-14(6-12)10-19)11-20(24)15-
3-1-2-4-16(15)21-18(20)23/h1-4,12-14,24H,5-11H2,(H,21,23)/f/h21H
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