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904815-76-5

904815-76-5 structural image
Product Name: 2-(3-METHOXY-PHENYL)-2,3,4,5-TETRAHYDRO-1H-BENZO[B][1,4]DIAZEPINE
Formula: C16H18N2O
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COMPUTED DESCRIPTORS

Molecular Weight 254.33 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 254.141913202 g/mol
Monoisotopic Mass 254.141913202 g/mol
Topological Polar Surface Area 33.3 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 284
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes