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1159976-44-9

1159976-44-9 structural image
Product Name: 3-(TERT-BUTYL)-4-(INDOL-3-YLMETHYLENE)-1-PHENYL-2-PYRAZOLIN-5-ONE
Formula: C22H21N3O
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COMPUTED DESCRIPTORS

Molecular Weight 343.4 g/mol
XLogP3 4.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 343.168462302 g/mol
Monoisotopic Mass 343.168462302 g/mol
Topological Polar Surface Area 44.7 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 661
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