N-phenyl-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]aniline
Formula:C26H20N4S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-phenyl-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]aniline is not a drug-like molecule.
| MolName | N-phenyl-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]aniline |
| MolecularFormula | C26H20N4S |
| Smiles | C(c1cn(-c2ccccc2)nc1-c1cccs1)=N\N(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C26H20N4S/c1-4-11-22(12-5-1)29-20-21(26(28-29)25-17-10-18-31-25)19-27-30(23-13-6-2-7-14-23)24-15-8-3-9-16-24/h1-20H |
| InChIK | CYMWLZLPMYKYGK-UHFFFAOYSA-N |
| TotalMolweight | 420.539 |
| Molweight | 420.539 |
| MonoisotopicMass | 420.140866 |
| CLogP | 6.1713 |
| CLogS | -7.16 |
| H Acceptors | 4 |
| TotalSurfaceArea | 331.26 |
| Relative PSA | 0.16078 |
| PolarSurfaceArea | 61.66 |
| Druglikeness | 5.2516 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.45161 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Symmetricatoms | 10 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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