4-hydroxy-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
Formula:C21H18N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-hydroxy-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-hydroxy-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide |
| MolecularFormula | C21H18N2O3 |
| Smiles | Oc(cc1)ccc1C(N/N=C\c1cc(OCc2ccccc2)ccc1)=O |
| InChI | InChI=1S/C21H18N2O3/c24-19-11-9-18(10-12-19)21(25)23-22-14-17-7-4-8-20(13-17)26-15-16-5-2-1-3-6-16/h1-14,24H,15H2,(H,23,25) |
| InChIK | BOEFVERUHKPCBD-UHFFFAOYSA-N |
| TotalMolweight | 346.385 |
| Molweight | 346.385 |
| MonoisotopicMass | 346.131743 |
| CLogP | 4.204 |
| CLogS | -4.766 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 276.86 |
| Relative PSA | 0.2135 |
| PolarSurfaceArea | 70.92 |
| Druglikeness | 4.0044 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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