CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 183.5 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
|---|
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H300:Acute toxicity,oral H310:Acute toxicity,dermal H330:Acute toxicity,inhalation |
| Precautionary Statement Codes |
P320:Specific treatment is urgent (see … on this label). P330:Rinse mouth. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P405:Store locked up. |
COMPUTED DESCRIPTORS
| Molecular Weight | 390.9 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 390.1710204 g/mol |
| Monoisotopic Mass | 390.1710204 g/mol |
| Topological Polar Surface Area | 65.6 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 555 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |