852690-94-9
Product Name:
3-METHYL-1-(4-NITROPHENYL)-4-[3-(TRIFLUOROMETHYL)PHENYL]-1H-PYRAZOL-5-YLAMINE
Formula:
C17H13F3N4O2
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COMPUTED DESCRIPTORS
Molecular Weight | 362.31 g/mol |
---|---|
XLogP3 | 4.3 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 2 |
Exact Mass | 362.09906016 g/mol |
Monoisotopic Mass | 362.09906016 g/mol |
Topological Polar Surface Area | 89.7 Ų |
Heavy Atom Count | 26 |
Formal Charge | 0 |
Complexity | 505 |
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 |