53278-75-4
Product Name:
(3-ALLYL-4-OXO-3,4-DIHYDRO-QUINAZOLIN-2-YLSULFANYL)-ACETIC ACID
Formula:
C13H12N2O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 276.31 g/mol |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 276.05686342 g/mol |
| Monoisotopic Mass | 276.05686342 g/mol |
| Topological Polar Surface Area | 95.3 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 422 |
| 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 |