4-amino-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide
Formula:C20H17N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-amino-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-amino-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide |
| MolecularFormula | C20H17N3O2 |
| Smiles | Nc(cc1)ccc1C(N/N=C\c1cc(Oc2ccccc2)ccc1)=O |
| InChI | InChI=1S/C20H17N3O2/c21-17-11-9-16(10-12-17)20(24)23-22-14-15-5-4-8-19(13-15)25-18-6-2-1-3-7-18/h1-14H,21H2,(H,23,24) |
| InChIK | QGKCBLQMNWPDGI-UHFFFAOYSA-N |
| TotalMolweight | 331.374 |
| Molweight | 331.374 |
| MonoisotopicMass | 331.132077 |
| CLogP | 3.9199 |
| CLogS | -6.094 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 265.27 |
| Relative PSA | 0.23101 |
| PolarSurfaceArea | 76.71 |
| Druglikeness | 4.2582 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 4-amino-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide | 2 - 4-amino-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide
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