233272-35-0
Product Name:
5-NITRO-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINECARBOXYLIC ACID
Formula:
C10H10N2O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 222.20 g/mol |
|---|---|
| XLogP3 | -1.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 222.06405680 g/mol |
| Monoisotopic Mass | 222.06405680 g/mol |
| Topological Polar Surface Area | 95.2 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 302 |
| 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 |