10-iminotetrahydro-8a,4-(epoxymethano)-1-benzopyran-3,3,4(2H,4aH)-tricarbonitrile
Chemical Structure Depiction of
10-iminotetrahydro-8a,4-(epoxymethano)-1-benzopyran-3,3,4(2H,4aH)-tricarbonitrile
10-iminotetrahydro-8a,4-(epoxymethano)-1-benzopyran-3,3,4(2H,4aH)-tricarbonitrile
Compound characteristics
| Compound ID: | 8010-3822 |
| Compound Name: | 10-iminotetrahydro-8a,4-(epoxymethano)-1-benzopyran-3,3,4(2H,4aH)-tricarbonitrile |
| Molecular Weight: | 256.26 |
| Molecular Formula: | C13 H12 N4 O2 |
| Smiles: | C1CCC23C(C1)C(C#N)(C(=N)O3)C(CO2)(C#N)C#N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.1266 |
| logD: | 1.1264 |
| logSw: | -1.5681 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.052 |
| InChI Key: | LRYUMHXJZJBSIH-UHFFFAOYSA-N |