672310-21-3
Product Name:
7-HYDROXY-2,3,4,5-TETRAHYDRO-1H-BENZO[E][1,4]DIAZEPINE-2-CARBOXYLIC ACID METHYL ESTER
Formula:
C11H14N2O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 222.24 g/mol |
|---|---|
| XLogP3 | 0.6 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 222.10044231 g/mol |
| Monoisotopic Mass | 222.10044231 g/mol |
| Topological Polar Surface Area | 70.6 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 260 |
| 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 |