(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)(hydroxyimino)acetonitrile
Chemical Structure Depiction of
(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)(hydroxyimino)acetonitrile
(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)(hydroxyimino)acetonitrile
Compound characteristics
| Compound ID: | 8008-4167 |
| Compound Name: | (3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)(hydroxyimino)acetonitrile |
| Molecular Weight: | 227.26 |
| Molecular Formula: | C13 H13 N3 O |
| Smiles: | CC1(C)Cc2ccccc2C(/C(C#N)=N/O)=N1 |
| Stereo: | ACHIRAL |
| logP: | 2.0618 |
| logD: | 2.0618 |
| logSw: | -2.2573 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.671 |
| InChI Key: | LZNCTSCENCWVDB-UHFFFAOYSA-N |