3-bromo-N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
Formula:C21H16N2O2BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-bromo-N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 3-bromo-N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide |
| MolecularFormula | C21H16N2O2BrCl |
| Smiles | O=C(c1cccc(Br)c1)N/N=C\c(cc1)ccc1OCc(cc1)ccc1Cl |
| InChI | InChI=1S/C21H16BrClN2O2/c22-18-3-1-2-17(12-18)21(26)25-24-13-15-6-10-20(11-7-15)27-14-16-4-8-19(23)9-5-16/h1-13H,14H2,(H,25,26) |
| InChIK | IZOVHAOWDKAHHN-UHFFFAOYSA-N |
| TotalMolweight | 443.727 |
| Molweight | 443.727 |
| MonoisotopicMass | 442.008366 |
| CLogP | 5.8809 |
| CLogS | -6.632 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 304.56 |
| Relative PSA | 0.15107 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 2.2614 |
| 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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