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477869-46-8

477869-46-8 structural image
Product Name: 1-BENZHYDRYL-4-(4-[(4-CHLOROPHENYL)SULFANYL]-3-NITROBENZYL)PIPERAZINE
Formula: C30H28ClN3O2S
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COMPUTED DESCRIPTORS

Molecular Weight 530.1 g/mol
XLogP3 7.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 7
Exact Mass 529.1590760 g/mol
Monoisotopic Mass 529.1590760 g/mol
Topological Polar Surface Area 77.6 Ų
Heavy Atom Count 37
Formal Charge 0
Complexity 677
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