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69231-65-8

69231-65-8 structural image
Product Name: VUFB-10506
Formula: 2C16H17ClN2S.4C4H4O4.H2O
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COMPUTED DESCRIPTORS

Molecular Weight 537.0 g/mol
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 7
Exact Mass 536.1020146 g/mol
Monoisotopic Mass 536.1020146 g/mol
Topological Polar Surface Area 213 Ų
Heavy Atom Count 36
Formal Charge 0
Complexity 434
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 3
Compound Is Canonicalized Yes