333787-61-4
Product Name:
2-(2,3,6-TRIAZINO[5,4-B]INDOL-3-YLTHIO)PROPANOIC ACID
Formula:
C12H10N4O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 274.30 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 274.05244675 g/mol |
| Monoisotopic Mass | 274.05244675 g/mol |
| Topological Polar Surface Area | 117 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 357 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |