112930-58-2
Product Name:
(E)-3-(6,11-Dihydrodibenzo(b,e)thiepin-11-ylidene)propionic acid
Formula:
C17H14O2S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 282.4 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 282.07145086 g/mol |
| Monoisotopic Mass | 282.07145086 g/mol |
| Topological Polar Surface Area | 62.6 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 391 |
| 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 |