54001-17-1
Product Name:
2-(4-CHLOROPHENYL)-4-METHYL-1,3-THIAZOLE-5-CARBOXYLIC ACID
Formula:
C11H8ClNO2S
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Solubility | 33.2 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
Molecular Weight | 253.71 g/mol |
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XLogP3 | 3.5 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 2 |
Exact Mass | 252.9964274 g/mol |
Monoisotopic Mass | 252.9964274 g/mol |
Topological Polar Surface Area | 78.4 Ų |
Heavy Atom Count | 16 |
Formal Charge | 0 |
Complexity | 269 |
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 |