CHEMICAL AND PHYSICAL PROPERTIES
Solubility | >33.2 [ug/mL] (The mean of the results at pH 7.4) |
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SAFETY INFORMATION
Signal word | Danger |
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Pictogram(s) |
Skull and Crossbones Acute Toxicity GHS06 |
GHS Hazard Statements |
H301:Acute toxicity,oral |
Precautionary Statement Codes |
P309:IF exposed or if you feel unwell: P310:Immediately call a POISON CENTER or doctor/physician. |
COMPUTED DESCRIPTORS
Molecular Weight | 221.11 g/mol |
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XLogP3 | 3.2 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 1 |
Exact Mass | 219.9628748 g/mol |
Monoisotopic Mass | 219.9628748 g/mol |
Topological Polar Surface Area | 70.1 Ų |
Heavy Atom Count | 12 |
Formal Charge | 0 |
Complexity | 177 |
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 |