2-chloro-N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]aniline
Formula:C22H16N4ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-chloro-N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]aniline is not a drug-like molecule.
| MolName | 2-chloro-N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]aniline |
| MolecularFormula | C22H16N4ClF |
| Smiles | Fc(cc1)ccc1-c(c(/C=N\Nc(cccc1)c1Cl)c1)nn1-c1ccccc1 |
| InChI | InChI=1S/C22H16ClFN4/c23-20-8-4-5-9-21(20)26-25-14-17-15-28(19-6-2-1-3-7-19)27-22(17)16-10-12-18(24)13-11-16/h1-15,26H |
| InChIK | VFPKWDOGSPXHBT-UHFFFAOYSA-N |
| TotalMolweight | 390.848 |
| Molweight | 390.848 |
| MonoisotopicMass | 390.104751 |
| CLogP | 6.4667 |
| CLogS | -5.712 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 298.49 |
| Relative PSA | 0.13672 |
| PolarSurfaceArea | 42.21 |
| Druglikeness | 2.7479 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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