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120627-50-1

120627-50-1 structural image
Product Name: 1H-INDOLE-4-ACETONITRILE, 5-NITRO-1-(PHENYLMETHYL)-
Formula: C17H13N3O2
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COMPUTED DESCRIPTORS

Molecular Weight 291.30 g/mol
XLogP3 3.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 291.100776666 g/mol
Monoisotopic Mass 291.100776666 g/mol
Topological Polar Surface Area 74.5 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 447
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