315246-02-7
Product Name:
4H,5H-PYRANO[4,3-B]PYRAN-3-CARBONITRILE, 2-AMINO-7-METHYL-4-(2-NITROPHENYL)-5-OXO-
Formula:
C16H11N3O5
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COMPUTED DESCRIPTORS
Molecular Weight | 325.27 g/mol |
---|---|
XLogP3 | 2.1 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 1 |
Exact Mass | 325.06987046 g/mol |
Monoisotopic Mass | 325.06987046 g/mol |
Topological Polar Surface Area | 131 Ų |
Heavy Atom Count | 24 |
Formal Charge | 0 |
Complexity | 749 |
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 |