116493-00-6
Product Name:
3-(3-CHLOROPHENYL)-4-CYANO-5-(METHYLTHIO)THIOPHENE-2-CARBOXYLIC ACID
Formula:
C13H8ClNO2S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 309.8 g/mol |
|---|---|
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 308.9684985 g/mol |
| Monoisotopic Mass | 308.9684985 g/mol |
| Topological Polar Surface Area | 115 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 397 |
| 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 |