N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
Formula:C23H15N3OClF
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide |
| MolecularFormula | C23H15N3OClF |
| Smiles | O=C(c1cc(-c2ccccc2)nc2ccccc12)N/N=C\c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C23H15ClFN3O/c24-19-10-6-11-20(25)18(19)14-26-28-23(29)17-13-22(15-7-2-1-3-8-15)27-21-12-5-4-9-16(17)21/h1-14H,(H,28,29) |
| InChIK | SLJJZAQDMRZVTR-UHFFFAOYSA-N |
| TotalMolweight | 403.843 |
| Molweight | 403.843 |
| MonoisotopicMass | 403.088767 |
| CLogP | 5.9746 |
| CLogS | -7.255 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 301.88 |
| Relative PSA | 0.15562 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 3.1315 |
| 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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