N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]quinoline-2-carboxamide
Formula:C17H11N3OClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]quinoline-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]quinoline-2-carboxamide |
| MolecularFormula | C17H11N3OClF |
| Smiles | O=C(c1nc2ccccc2cc1)N/N=C\c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C17H11ClFN3O/c18-13-5-3-6-14(19)12(13)10-20-22-17(23)16-9-8-11-4-1-2-7-15(11)21-16/h1-10H,(H,22,23) |
| InChIK | RVEPKBOMDLHWHU-UHFFFAOYSA-N |
| TotalMolweight | 327.745 |
| Molweight | 327.745 |
| MonoisotopicMass | 327.057467 |
| CLogP | 4.2784 |
| CLogS | -5.501 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 242.12 |
| Relative PSA | 0.19404 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 3.1315 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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