N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2,4-difluoroaniline
Formula:C22H16N4F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2,4-difluoroaniline is not a drug-like molecule.
| MolName | N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2,4-difluoroaniline |
| MolecularFormula | C22H16N4F2 |
| Smiles | Fc(cc1)cc(F)c1N/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1 |
| InChI | InChI=1S/C22H16F2N4/c23-18-11-12-21(20(24)13-18)26-25-14-17-15-28(19-9-5-2-6-10-19)27-22(17)16-7-3-1-4-8-16/h1-15,26H |
| InChIK | YSMGGIPYDDKVBD-UHFFFAOYSA-N |
| TotalMolweight | 374.393 |
| Molweight | 374.393 |
| MonoisotopicMass | 374.134302 |
| CLogP | 5.9615 |
| CLogS | -5.29 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 289.42 |
| Relative PSA | 0.14101 |
| PolarSurfaceArea | 42.21 |
| Druglikeness | 2.7556 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| 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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