2-bromo-N-[(Z)-(4-cyanophenyl)methylideneamino]benzamide
Formula:C15H10N3OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-bromo-N-[(Z)-(4-cyanophenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 2-bromo-N-[(Z)-(4-cyanophenyl)methylideneamino]benzamide |
| MolecularFormula | C15H10N3OBr |
| Smiles | N#Cc1ccc(/C=N\NC(c(cccc2)c2Br)=O)cc1 |
| InChI | InChI=1S/C15H10BrN3O/c16-14-4-2-1-3-13(14)15(20)19-18-10-12-7-5-11(9-17)6-8-12/h1-8,10H,(H,19,20) |
| InChIK | CTKHTCAUCBOGHZ-UHFFFAOYSA-N |
| TotalMolweight | 328.168 |
| Molweight | 328.168 |
| MonoisotopicMass | 327.000723 |
| CLogP | 3.7624 |
| CLogS | -5.328 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 227.33 |
| Relative PSA | 0.21805 |
| PolarSurfaceArea | 65.25 |
| Druglikeness | -1.6013 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| 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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1 - 2-bromo-N-[(Z)-(4-cyanophenyl)methylideneamino]benzamide | 2 - 2-bromo-N-[(Z)-(4-cyanophenyl)methylideneamino]benzamide
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