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3613-13-6

3613-13-6 structural image
Product Name: 9H-Thioxanthene-4-carboxaldehyde,1-[[2-(diethylamino)ethyl]amino]-9-oxo-
Formula: C20H22N2O2S
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COMPUTED DESCRIPTORS

Molecular Weight 354.5 g/mol
XLogP3 3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 7
Exact Mass 354.14019912 g/mol
Monoisotopic Mass 354.14019912 g/mol
Topological Polar Surface Area 74.7 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 469
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
Compound Is Canonicalized Yes