860644-74-2
Product Name:
5-METHYL-3-(2-THIENYL)-1,6-DIAZATRICYCLO[6.2.2.0(2,7)]DODECA-2(7),4-DIENE-4-CARBONITRILE
Formula:
C16H17N3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 283.4 g/mol |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 283.11431873 g/mol |
| Monoisotopic Mass | 283.11431873 g/mol |
| Topological Polar Surface Area | 67.3 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 545 |
| 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 |