1009185-81-2
Product Name:
2-(2-CHLORO-ACETYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID
Formula:
C12H12ClNO3
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | >38.1 [ug/mL] (The mean of the results at pH 7.4) |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 253.68 g/mol |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 253.0505709 g/mol |
| Monoisotopic Mass | 253.0505709 g/mol |
| Topological Polar Surface Area | 57.6 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 321 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |