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879896-39-6

879896-39-6 structural image
Product Name: 1-(4-ISOCYANATOPHENYL)-4-METHYLPIPERAZINE
Formula: C12H15N3O
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COMPUTED DESCRIPTORS

Molecular Weight 217.27 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 217.121512110 g/mol
Monoisotopic Mass 217.121512110 g/mol
Topological Polar Surface Area 35.9 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 259
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