3-chloro-N-[(Z)-[(4-fluorophenyl)-(4-piperidin-1-ylphenyl)methylidene]amino]benzamide
Formula:C25H23N3OClF
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
3-chloro-N-[(Z)-[(4-fluorophenyl)-(4-piperidin-1-ylphenyl)methylidene]amino]benzamide is not a drug-like molecule.
| MolName | 3-chloro-N-[(Z)-[(4-fluorophenyl)-(4-piperidin-1-ylphenyl)methylidene]amino]benzamide |
| MolecularFormula | C25H23N3OClF |
| Smiles | O=C(c1cccc(Cl)c1)N/N=C(/c(cc1)ccc1N1CCCCC1)\c(cc1)ccc1F |
| InChI | InChI=1S/C25H23ClFN3O/c26-21-6-4-5-20(17-21)25(31)29-28-24(18-7-11-22(27)12-8-18)19-9-13-23(14-10-19)30-15-2-1-3-16-30/h4-14,17H,1-3,15-16H2,(H,29,31) |
| InChIK | JAMMBUQZWMKRON-UHFFFAOYSA-N |
| TotalMolweight | 435.929 |
| Molweight | 435.929 |
| MonoisotopicMass | 435.151367 |
| CLogP | 5.9381 |
| CLogS | -7.539 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 332.33 |
| Relative PSA | 0.11904 |
| PolarSurfaceArea | 44.7 |
| Druglikeness | 2.1756 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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