748142-95-2
Product Name:
3-(1,3-benzothiazol-2-yl)-4-(4-nitrophenyl)but-3-enoic acid
Formula:
C17H12N2O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 340.4 g/mol |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 340.05177804 g/mol |
| Monoisotopic Mass | 340.05177804 g/mol |
| Topological Polar Surface Area | 124 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 511 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |