116493-07-3
Product Name:
4-CYANO-3-(4-METHOXYPHENYL)-5-(METHYLTHIO)THIOPHENE-2-CARBOXYLIC ACID
Formula:
C14H11NO3S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 305.4 g/mol |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 305.01803556 g/mol |
| Monoisotopic Mass | 305.01803556 g/mol |
| Topological Polar Surface Area | 124 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 401 |
| 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 |