861210-24-4
Product Name:
1H-1,4-Diazepine-2,3-dicarbonitrile, 1-ethyl-6,7-dihydro-5,7,7-trimethyl-
Formula:
C12H16N4
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | 29.8 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
| Molecular Weight | 216.28 g/mol |
|---|---|
| XLogP3 | 0.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 216.137496527 g/mol |
| Monoisotopic Mass | 216.137496527 g/mol |
| Topological Polar Surface Area | 63.2 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 450 |
| 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 |