136116-84-2
Product Name:
METHANETRICARBOXYLIC ACID, (5-BENZOYL-1H-PYRROL-2-YL)-, TRIETHYL ESTER
Formula:
C21H23NO7
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 401.4 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 12 |
| Exact Mass | 401.14745207 g/mol |
| Monoisotopic Mass | 401.14745207 g/mol |
| Topological Polar Surface Area | 112 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 567 |
| 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 |