2-(4-fluoroanilino)-N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]acetamide
Formula:C27H23N4OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-fluoroanilino)-N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(4-fluoroanilino)-N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]acetamide |
| MolecularFormula | C27H23N4OF |
| Smiles | O=C(CNc(cc1)ccc1F)N/N=C\c(cc1)ccc1N(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C27H23FN4O/c28-22-13-15-23(16-14-22)29-20-27(33)31-30-19-21-11-17-26(18-12-21)32(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-19,29H,20H2,(H,31,33) |
| InChIK | JBWLRYVJBWVOIX-UHFFFAOYSA-N |
| TotalMolweight | 438.505 |
| Molweight | 438.505 |
| MonoisotopicMass | 438.185589 |
| CLogP | 5.1887 |
| CLogS | -8.033 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 348.38 |
| Relative PSA | 0.14645 |
| PolarSurfaceArea | 56.73 |
| Druglikeness | 4.2655 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60606 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 12 |
| Amines | 2 |
| Aromatic Amines | 2 |
| StereoCon |
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1 - 2-(4-fluoroanilino)-N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]acetamide | 2 - 2-(4-fluoroanilino)-N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]acetamide
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