Free Chemical Databases
-
[Synonyms]
NSC328907
68450-03-3
[Structure]
[ Properties Computed from Structure]
Molecular Weight 245.31686 [g/mol] Molecular Formula C15H19NO2 XLogP 0.5 H-Bond Donor 3 H-Bond Acceptor 3 Rotatable Bond Count 0 Exact Mass 245.141579 MonoIsotopic Mass 245.141579 Topological Polar Surface Area 66.5 Heavy Atom Count 18 Formal Charge 0 Complexity 366 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 3 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 5-amino-1-methyl-1,2,3,4,9,10-hexahydroanthracene-9,10-diol
Canonical SMILES: CC1CCCC2=C1C(C3=C(C2O)C(=CC=C3)N)O
InChI: InChI=1/C15H19NO2/c1-8-4-2-5-9-12(8)14(17)10-6-3-7-11(16)13(10)15(9)18/
h3,6-8,14-15,17-18H,2,4-5,16H2,1H3
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