4-amino-N-[(Z)-(2-bromophenyl)methylideneamino]benzamide
Formula:C14H12N3OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-amino-N-[(Z)-(2-bromophenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-amino-N-[(Z)-(2-bromophenyl)methylideneamino]benzamide |
| MolecularFormula | C14H12N3OBr |
| Smiles | Nc(cc1)ccc1C(N/N=C\c(cccc1)c1Br)=O |
| InChI | InChI=1S/C14H12BrN3O/c15-13-4-2-1-3-11(13)9-17-18-14(19)10-5-7-12(16)8-6-10/h1-9H,16H2,(H,18,19) |
| InChIK | NRNHQEOTHRBONE-UHFFFAOYSA-N |
| TotalMolweight | 318.173 |
| Molweight | 318.173 |
| MonoisotopicMass | 317.016373 |
| CLogP | 3.2495 |
| CLogS | -4.631 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 214.14 |
| Relative PSA | 0.23947 |
| PolarSurfaceArea | 67.48 |
| Druglikeness | 2.6005 |
| 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 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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