4-bromo-N-[(E)-(3-chlorophenyl)methylideneamino]benzamide
Formula:C14H10N2OBrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(E)-(3-chlorophenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-bromo-N-[(E)-(3-chlorophenyl)methylideneamino]benzamide |
| MolecularFormula | C14H10N2OBrCl |
| Smiles | O=C(c(cc1)ccc1Br)N/N=C/c1cc(Cl)ccc1 |
| InChI | InChI=1S/C14H10BrClN2O/c15-12-6-4-11(5-7-12)14(19)18-17-9-10-2-1-3-13(16)8-10/h1-9H,(H,18,19) |
| InChIK | QQHQODCUFPSKHX-UHFFFAOYSA-N |
| TotalMolweight | 337.603 |
| Molweight | 337.603 |
| MonoisotopicMass | 335.966501 |
| CLogP | 4.5328 |
| CLogS | -5.291 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 221.04 |
| Relative PSA | 0.16291 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 2.6815 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| StereoCon |
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