6411-50-3
Product Name:
5-[(3-Carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)methyl]-2-hydroxy-3-methylbenzoic acid
Formula:
C27H22N2O7
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COMPUTED DESCRIPTORS
| Molecular Weight | 486.5 g/mol |
|---|---|
| XLogP3 | 4.7 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 486.14270105 g/mol |
| Monoisotopic Mass | 486.14270105 g/mol |
| Topological Polar Surface Area | 145 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 1110 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |