940106-84-3
Product Name:
(E)-4-[5-(BUTYRYLAMINO)-2-CHLOROANILINO]-4-OXO-2-BUTENOIC ACID
Formula:
C14H15ClN2O4
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 310.73 g/mol |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 310.0720347 g/mol |
| Monoisotopic Mass | 310.0720347 g/mol |
| Topological Polar Surface Area | 95.5 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 425 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |