221134-00-5
Product Name:
Isoquinoline, 5-[(hexahydro-7-methyl-1H-1,4-diazepin-1-yl)sulfonyl]-
Formula:
C15H19N3O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 305.4 g/mol |
|---|---|
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 305.11979803 g/mol |
| Monoisotopic Mass | 305.11979803 g/mol |
| Topological Polar Surface Area | 70.7 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 448 |
| 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 |