Free Chemical Databases
-
[Synonyms]
NSC47941
4508-93-4
[Structure]
[ Properties Computed from Structure]
Molecular Weight 343.41834 [g/mol] Molecular Formula C23H21NO2 XLogP 4.8 H-Bond Donor 2 H-Bond Acceptor 3 Rotatable Bond Count 4 Tautomer Count 5 Exact Mass 343.157229 MonoIsotopic Mass 343.157229 Topological Polar Surface Area 43.7 Heavy Atom Count 26 Formal Charge 0 Complexity 416 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-[[(2-hydroxynaphthalen-1-yl)methyl-methylamino]methyl]naphthalen-2-ol
Canonical SMILES: CN(CC1=C(C=CC2=CC=CC=C21)O)CC3=C(C=CC4=CC=CC=C43)O
InChI: InChI=1/C23H21NO2/c1-24(14-20-18-8-4-2-6-16(18)10-12-22(20)25)15-21-19-
9-5-3-7-17(19)11-13-23(21)26/h2-13,25-26H,14-15H2,1H3
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