N~1~,N~3~-bis(cyanomethyl)benzene-1,3-dicarboxamide
Chemical Structure Depiction of
N~1~,N~3~-bis(cyanomethyl)benzene-1,3-dicarboxamide
N~1~,N~3~-bis(cyanomethyl)benzene-1,3-dicarboxamide
Compound characteristics
| Compound ID: | Y030-0598 |
| Compound Name: | N~1~,N~3~-bis(cyanomethyl)benzene-1,3-dicarboxamide |
| Molecular Weight: | 242.23 |
| Molecular Formula: | C12 H10 N4 O2 |
| Smiles: | C(C#N)NC(c1cccc(c1)C(NCC#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.2075 |
| logD: | -0.2075 |
| logSw: | -1.8808 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.275 |
| InChI Key: | BJHCVLWQLJMSDJ-UHFFFAOYSA-N |