Free Chemical Databases
-
[Synonyms]
NSC128456
[Structure]
[ Properties Computed from Structure]
Molecular Weight 410.41988 [g/mol] Molecular Formula C22H22N2O6 XLogP 1.5 H-Bond Donor 2 H-Bond Acceptor 8 Rotatable Bond Count 2 Tautomer Count 8 Exact Mass 410.147786 MonoIsotopic Mass 410.147786 Topological Polar Surface Area 99.5 Heavy Atom Count 30 Formal Charge 0 Complexity 610 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: 1,8-dihydroxy-4,5-di(morpholin-4-yl)anthracene-9,10-dione
Canonical SMILES: C1COCCN1C2=C3C(=C(C=C2)O)C(=O)C4=C(C=CC(=C4C3=O)N5CCOCC5)O
InChI: InChI=1/C22H22N2O6/c25-15-3-1-13(23-5-9-29-10-6-23)17-19(15)22(28)20-16
(26)4-2-14(18(20)21(17)27)24-7-11-30-12-8-24/h1-4,25-26H,5-12H2
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