339278-10-3
Product Name:
2-(2-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]AMINO)ETHYL)-4-NITRO-1H-ISOINDOLE-1,3(2H)-DIONE
Formula:
C16H10ClF3N4O4
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COMPUTED DESCRIPTORS
Molecular Weight | 414.72 g/mol |
---|---|
XLogP3 | 3.2 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 9 |
Rotatable Bond Count | 4 |
Exact Mass | 414.0342670 g/mol |
Monoisotopic Mass | 414.0342670 g/mol |
Topological Polar Surface Area | 108 Ų |
Heavy Atom Count | 28 |
Formal Charge | 0 |
Complexity | 644 |
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 |