4-[5-(3-amino-2-cyano-3-oxoprop-1-en-1-yl)furan-2-yl]benzoic acid
Chemical Structure Depiction of
4-[5-(3-amino-2-cyano-3-oxoprop-1-en-1-yl)furan-2-yl]benzoic acid
4-[5-(3-amino-2-cyano-3-oxoprop-1-en-1-yl)furan-2-yl]benzoic acid
Compound characteristics
| Compound ID: | Y505-4442 |
| Compound Name: | 4-[5-(3-amino-2-cyano-3-oxoprop-1-en-1-yl)furan-2-yl]benzoic acid |
| Molecular Weight: | 282.25 |
| Molecular Formula: | C15 H10 N2 O4 |
| Smiles: | C(=C(/C#N)C(N)=O)/c1ccc(c2ccc(cc2)C(O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 2.3094 |
| logD: | -1.4184 |
| logSw: | -2.5558 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.331 |
| InChI Key: | DWCDKJRRKOEGPC-UHFFFAOYSA-N |