2059999-80-1
Product Name:
1H-Indole-1-carboxylic acid, 6-(chlorosulfonyl)-3-(cyanomethyl)-, phenylmethyl ester
Formula:
C18H13ClN2O4S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 388.8 g/mol |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 388.0284558 g/mol |
| Monoisotopic Mass | 388.0284558 g/mol |
| Topological Polar Surface Area | 97.5 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 662 |
| 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 |