N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
Formula:C23H15N3OBrF
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide |
| MolecularFormula | C23H15N3OBrF |
| Smiles | O=C(c1cc(-c2ccccc2)nc2ccccc12)N/N=C\c(cc(cc1)Br)c1F |
| InChI | InChI=1S/C23H15BrFN3O/c24-17-10-11-20(25)16(12-17)14-26-28-23(29)19-13-22(15-6-2-1-3-7-15)27-21-9-5-4-8-18(19)21/h1-14H,(H,28,29) |
| InChIK | BVMZBZXGTQZIGA-UHFFFAOYSA-N |
| TotalMolweight | 448.294 |
| Molweight | 448.294 |
| MonoisotopicMass | 447.038251 |
| CLogP | 6.0938 |
| CLogS | -7.353 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 305.09 |
| Relative PSA | 0.15399 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 1.3387 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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