[3-cyano-3a-(dicyanomethyl)-8a-hydroxy-3,3a,8,8a-tetrahydropyrrolo[2,3-b]indol-2(1H)-ylidene]propanedinitrile
Chemical Structure Depiction of
[3-cyano-3a-(dicyanomethyl)-8a-hydroxy-3,3a,8,8a-tetrahydropyrrolo[2,3-b]indol-2(1H)-ylidene]propanedinitrile
[3-cyano-3a-(dicyanomethyl)-8a-hydroxy-3,3a,8,8a-tetrahydropyrrolo[2,3-b]indol-2(1H)-ylidene]propanedinitrile
Compound characteristics
| Compound ID: | 8020-3487 |
| Compound Name: | [3-cyano-3a-(dicyanomethyl)-8a-hydroxy-3,3a,8,8a-tetrahydropyrrolo[2,3-b]indol-2(1H)-ylidene]propanedinitrile |
| Molecular Weight: | 327.3 |
| Molecular Formula: | C17 H9 N7 O |
| Smiles: | C(C(C#N)C12C(C#N)C(=C(C#N)C#N)NC2(Nc2ccccc12)O)#N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.625 |
| logD: | -0.4332 |
| logSw: | -1.7823 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 126.698 |
| InChI Key: | LHIGUMOGWZKWDT-UHFFFAOYSA-N |