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296878-08-5

296878-08-5 structural image
Product Name: 1-AMINO-5-PHENYL-6,7,8,9-TETRAHYDROTHIENO[2,3-C]ISOQUINOLINE-2-CARBONITRILE
Formula: C18H15N3S
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COMPUTED DESCRIPTORS

Molecular Weight 305.4 g/mol
XLogP3 5.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 305.09866866 g/mol
Monoisotopic Mass 305.09866866 g/mol
Topological Polar Surface Area 90.9 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 453
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