CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 167.2 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
|---|
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| 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 |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P284:Wear respiratory protection. P310:Immediately call a POISON CENTER or doctor/physician. P302+P350:IF ON SKIN: Gently wash with plenty of soap and water. |
COMPUTED DESCRIPTORS
| Molecular Weight | 327.8 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 327.1601214 g/mol |
| Monoisotopic Mass | 327.1601214 g/mol |
| Topological Polar Surface Area | 49.8 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 363 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |