331869-85-3
Product Name:
2-CHLORO-N-(3-CYANO-6-METHYL-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHEN-2-YL)-ACETAMIDE
Formula:
C12H13ClN2OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 268.76 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 268.0437119 g/mol |
| Monoisotopic Mass | 268.0437119 g/mol |
| Topological Polar Surface Area | 81.1 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 354 |
| 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 |