477851-07-3
Product Name:
1-OXO-2-(3-PYRIDINYLMETHYL)-1,2-DIHYDRO-4-ISOQUINOLINECARBOXYLIC ACID
Formula:
C16H12N2O3
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 280.28 g/mol |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 280.08479225 g/mol |
| Monoisotopic Mass | 280.08479225 g/mol |
| Topological Polar Surface Area | 70.5 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 460 |
| 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 |