3,4-dichloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
Formula:C21H16N2O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3,4-dichloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide is not a drug-like molecule.
| MolName | 3,4-dichloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide |
| MolecularFormula | C21H16N2O2Cl2 |
| Smiles | O=C(c(cc1)cc(Cl)c1Cl)N/N=C\c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C21H16Cl2N2O2/c22-19-11-8-17(12-20(19)23)21(26)25-24-13-15-6-9-18(10-7-15)27-14-16-4-2-1-3-5-16/h1-13H,14H2,(H,25,26) |
| InChIK | WZVRNHDIVJAUCL-UHFFFAOYSA-N |
| TotalMolweight | 399.276 |
| Molweight | 399.276 |
| MonoisotopicMass | 398.058882 |
| CLogP | 5.7617 |
| CLogS | -6.534 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 301.35 |
| Relative PSA | 0.15268 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 4.0514 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - 3,4-dichloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide | 2 - 3,4-dichloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
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