956786-73-5
Product Name:
1-(4-BUTYL-PHENYL)-5-(4-CHLORO-PHENYL)-3-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
Formula:
C21H21ClN2O2
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COMPUTED DESCRIPTORS
Molecular Weight | 368.9 g/mol |
---|---|
XLogP3 | 6 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 6 |
Exact Mass | 368.1291556 g/mol |
Monoisotopic Mass | 368.1291556 g/mol |
Topological Polar Surface Area | 55.1 Ų |
Heavy Atom Count | 26 |
Formal Charge | 0 |
Complexity | 459 |
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 |