200937-66-2
Product Name:
4-(3,6,6-TRIMETHYL-4-OXO-4,5,6,7-TETRAHYDRO-1H-INDAZOL-1-YL)BENZOIC ACID
Formula:
C17H18N2O3
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | >44.8 [ug/mL] (The mean of the results at pH 7.4) |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 298.34 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 298.13174244 g/mol |
| Monoisotopic Mass | 298.13174244 g/mol |
| Topological Polar Surface Area | 72.2 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 469 |
| 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 |