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1024480-42-9

1024480-42-9 structural image
Product Name: 1-BENZOTHIAZOL-2-YL-3-(TERT-BUTYL)-2-PYRAZOLIN-5-ONE
Formula: C14H15N3OS
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COMPUTED DESCRIPTORS

Molecular Weight 273.36 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 273.09358328 g/mol
Monoisotopic Mass 273.09358328 g/mol
Topological Polar Surface Area 73.8 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 415
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

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