74288-40-7
Product Name:
p-Nitrobenzyl-6-(1-hydroxyethyl)-1-azabicyclo(3.2.0)heptane-3,7-dione-2-carboxylate
Formula:
C16H16N2O7
Synonyms:
B-CK;CKB;CKBB;Creatine kinase B-type
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COMPUTED DESCRIPTORS
| Molecular Weight | 348.31 g/mol |
|---|---|
| XLogP3 | 0.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 348.09575085 g/mol |
| Monoisotopic Mass | 348.09575085 g/mol |
| Topological Polar Surface Area | 130 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 594 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |