N-[(Z)-[3-[4-(difluoromethoxy)phenyl]-1-phenylpyrazol-4-yl]methylideneamino]-4-fluoroaniline
Formula:C23H17N4OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-[4-(difluoromethoxy)phenyl]-1-phenylpyrazol-4-yl]methylideneamino]-4-fluoroaniline is not a drug-like molecule.
| MolName | N-[(Z)-[3-[4-(difluoromethoxy)phenyl]-1-phenylpyrazol-4-yl]methylideneamino]-4-fluoroaniline |
| MolecularFormula | C23H17N4OF3 |
| Smiles | FC(Oc(cc1)ccc1-c(c(/C=N\Nc(cc1)ccc1F)c1)nn1-c1ccccc1)F |
| InChI | InChI=1S/C23H17F3N4O/c24-18-8-10-19(11-9-18)28-27-14-17-15-30(20-4-2-1-3-5-20)29-22(17)16-6-12-21(13-7-16)31-23(25)26/h1-15,23,28H |
| InChIK | MKDMVZTZEALAPQ-UHFFFAOYSA-N |
| TotalMolweight | 422.409 |
| Molweight | 422.409 |
| MonoisotopicMass | 422.135445 |
| CLogP | 6.0301 |
| CLogS | -5.598 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 318.27 |
| Relative PSA | 0.15964 |
| PolarSurfaceArea | 51.44 |
| Druglikeness | 1.0542 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 7 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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