861209-95-2
Product Name:
7-(4-CHLOROPHENYL)-5-METHYL-6,7-DIHYDRO-1H-1,4-DIAZEPINE-2,3-DICARBONITRILE
Formula:
C14H11ClN4
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | 15.9 [ug/mL] (The mean of the results at pH 7.4) |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 270.72 g/mol |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 270.0672241 g/mol |
| Monoisotopic Mass | 270.0672241 g/mol |
| Topological Polar Surface Area | 72 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 508 |
| 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 |