306936-26-5
Product Name:
1-(2,6-DICHLOROBENZYL)THIOETHYL-2-METHYL 5-PHENYLPYRROLE-3-CARBOXYLIC ACID
Formula:
C21H19Cl2NO2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 420.4 g/mol |
|---|---|
| XLogP3 | 5.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 7 |
| Exact Mass | 419.0513554 g/mol |
| Monoisotopic Mass | 419.0513554 g/mol |
| Topological Polar Surface Area | 67.5 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 479 |
| 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 |