84968-80-9
Product Name:
1H-Pyrazole-4-acetic acid, 5-hydroxy-1-(6-methoxy-2-benzothiazolyl)-3- methyl-
Formula:
C14H13N3O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 319.34 g/mol |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 319.06267708 g/mol |
| Monoisotopic Mass | 319.06267708 g/mol |
| Topological Polar Surface Area | 120 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 524 |
| 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 |