CHEMICAL AND PHYSICAL PROPERTIES
Solubility | >24.5 [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 Health Hazard GHS08 |
GHS Hazard Statements |
H301:Acute toxicity,oral H319:Serious eye damage/eye irritation H351:Carcinogenicity H360:Reproductive toxicity |
Precautionary Statement Codes |
P201:Obtain special instructions before use. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
Molecular Weight | 163.13 g/mol |
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XLogP3 | 1.8 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 0 |
Exact Mass | 163.038176411 g/mol |
Monoisotopic Mass | 163.038176411 g/mol |
Topological Polar Surface Area | 74.5 Ų |
Heavy Atom Count | 12 |
Formal Charge | 0 |
Complexity | 192 |
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 |