N-phenyl-N-[(Z)-(4-pyrrolidin-1-ylphenyl)methylideneamino]aniline
Formula:C23H23N3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-phenyl-N-[(Z)-(4-pyrrolidin-1-ylphenyl)methylideneamino]aniline is not a drug-like molecule.
| MolName | N-phenyl-N-[(Z)-(4-pyrrolidin-1-ylphenyl)methylideneamino]aniline |
| MolecularFormula | C23H23N3 |
| Smiles | C(CC1)CN1c1ccc(/C=N\N(c2ccccc2)c2ccccc2)cc1 |
| InChI | InChI=1S/C23H23N3/c1-3-9-22(10-4-1)26(23-11-5-2-6-12-23)24-19-20-13-15-21(16-14-20)25-17-7-8-18-25/h1-6,9-16,19H,7-8,17-18H2 |
| InChIK | XRWSIBVXSYPWLH-UHFFFAOYSA-N |
| TotalMolweight | 341.457 |
| Molweight | 341.457 |
| MonoisotopicMass | 341.189197 |
| CLogP | 5.7198 |
| CLogS | -6.448 |
| H Acceptors | 3 |
| TotalSurfaceArea | 279.68 |
| Relative PSA | 0.06654 |
| PolarSurfaceArea | 18.84 |
| Druglikeness | 4.705 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 12 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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