4-(3-chloro-4-fluoroanilino)quinoline-3-carbonitrile--hydrogen chloride (1/1)
Chemical Structure Depiction of
4-(3-chloro-4-fluoroanilino)quinoline-3-carbonitrile--hydrogen chloride (1/1)
4-(3-chloro-4-fluoroanilino)quinoline-3-carbonitrile--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | F360-0003 |
| Compound Name: | 4-(3-chloro-4-fluoroanilino)quinoline-3-carbonitrile--hydrogen chloride (1/1) |
| Molecular Weight: | 334.18 |
| Molecular Formula: | C16 H9 Cl F N3 |
| Salt: | HCl |
| Smiles: | C(c1cnc2ccccc2c1Nc1ccc(c(c1)[Cl])F)#N |
| Stereo: | ACHIRAL |
| logP: | 4.0817 |
| logD: | 4.0817 |
| logSw: | -4.5363 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.664 |
| InChI Key: | IATBYLFNWBFITR-UHFFFAOYSA-N |