385383-35-7
Product Name:
3-(1,3-BENZODIOXOL-5-YL)-2-(3-CHLOROPROPYL)-1-OXO-1,2,3,4-TETRAHYDRO-4-ISOQUINOLINECARBOXYLIC ACID
Formula:
C20H18ClNO5
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 387.8 g/mol |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 387.0873504 g/mol |
| Monoisotopic Mass | 387.0873504 g/mol |
| Topological Polar Surface Area | 76.1 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 573 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |