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339012-80-5

339012-80-5 structural image
Product Name: 3-(3-CHLORO-2-THIENYL)-3-OXOPROPANAL O-(2-(4-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]PIPERAZINO)-2-OXOETHYL)OXIME
Formula: C19H17Cl2F3N4O3S
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COMPUTED DESCRIPTORS

Molecular Weight 509.3 g/mol
XLogP3 4.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 7
Exact Mass 508.0350515 g/mol
Monoisotopic Mass 508.0350515 g/mol
Topological Polar Surface Area 103 Ų
Heavy Atom Count 32
Formal Charge 0
Complexity 695
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes