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250713-91-8

250713-91-8 structural image
Product Name: 4-(4-CHLOROPHENYL)-1-(4-FLUOROBENZYL)-2-[(PHENYLMETHYLENE)AMINO]-1H-PYRROLE-3-CARBONITRILE
Formula: C25H17ClFN3
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COMPUTED DESCRIPTORS

Molecular Weight 413.9 g/mol
XLogP3 6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 5
Exact Mass 413.1095034 g/mol
Monoisotopic Mass 413.1095034 g/mol
Topological Polar Surface Area 41.1 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 609
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