338778-73-7
Product Name:
5-[2-(4-CHLOROANILINO)VINYL]-3-[(2,4-DICHLOROBENZYL)SULFANYL]-4-ISOTHIAZOLECARBONITRILE
Formula:
C19H12Cl3N3S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 452.8 g/mol |
|---|---|
| XLogP3 | 6.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 450.953823 g/mol |
| Monoisotopic Mass | 450.953823 g/mol |
| Topological Polar Surface Area | 102 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 548 |
| 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 |