55042-89-2
Product Name:
3-CARBOXY-5-(2-CHLOROPHENYL)-1-PHENYLPYRAZOLE
Formula:
C16H11ClN2O2
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Solubility | >44.8 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
Molecular Weight | 298.72 g/mol |
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XLogP3 | 4 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 3 |
Exact Mass | 298.0509053 g/mol |
Monoisotopic Mass | 298.0509053 g/mol |
Topological Polar Surface Area | 55.1 Ų |
Heavy Atom Count | 21 |
Formal Charge | 0 |
Complexity | 373 |
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 |