6-{[(2,4-dioxo-2H-1-benzopyran-3(4H)-ylidene)methyl]amino}hexanoic acid
Chemical Structure Depiction of
6-{[(2,4-dioxo-2H-1-benzopyran-3(4H)-ylidene)methyl]amino}hexanoic acid
6-{[(2,4-dioxo-2H-1-benzopyran-3(4H)-ylidene)methyl]amino}hexanoic acid
Compound characteristics
| Compound ID: | 7009-0647 |
| Compound Name: | 6-{[(2,4-dioxo-2H-1-benzopyran-3(4H)-ylidene)methyl]amino}hexanoic acid |
| Molecular Weight: | 303.31 |
| Molecular Formula: | C16 H17 N O5 |
| Smiles: | C(CCC(O)=O)CCN/C=C1/C(c2ccccc2OC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7273 |
| logD: | -2.1009 |
| logSw: | -2.012 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.664 |
| InChI Key: | OLSQMNPFQKHWQF-UHFFFAOYSA-N |