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22794-77-0

22794-77-0 structural image
Product Name: N-(2,4-DINITROPHENYL)-2-OXA-16-AZATETRACYCLO[11.2.1.0(3,12).0(6,11)]HEXADECA-3(12),4,6(11),7,9-PENTAEN-16-AMINE
Formula: C20H16N4O5
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COMPUTED DESCRIPTORS

Molecular Weight 392.4 g/mol
XLogP3 5.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 2
Exact Mass 392.11206962 g/mol
Monoisotopic Mass 392.11206962 g/mol
Topological Polar Surface Area 116 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 652
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes