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886650-42-6

886650-42-6 structural image
Product Name: 2,10-DIAZA-9-(4-HYDROXY-3-NITROPHENYL)-5,5-DIMETHYLTRICYCLO[9.4.0.0(3,8)]PENTADECA-1(11),3(8),12,14-TETRAEN-7-ONE
Formula: C21H21N3O4
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COMPUTED DESCRIPTORS

Molecular Weight 379.4 g/mol
XLogP3 4.3
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 1
Exact Mass 379.15320616 g/mol
Monoisotopic Mass 379.15320616 g/mol
Topological Polar Surface Area 107 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 684
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
Compound Is Canonicalized Yes