3-bromo-N-[(E)-(4-chlorophenyl)methylideneamino]benzamide
Formula:C14H10N2OBrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-bromo-N-[(E)-(4-chlorophenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 3-bromo-N-[(E)-(4-chlorophenyl)methylideneamino]benzamide |
| MolecularFormula | C14H10N2OBrCl |
| Smiles | O=C(c1cccc(Br)c1)N/N=C/c(cc1)ccc1Cl |
| InChI | InChI=1S/C14H10BrClN2O/c15-12-3-1-2-11(8-12)14(19)18-17-9-10-4-6-13(16)7-5-10/h1-9H,(H,18,19) |
| InChIK | HQEYTQZPRUVXEC-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 |
Click to Load Molecule:
1 - 3-bromo-N-[(E)-(4-chlorophenyl)methylideneamino]benzamide | 2 - 3-bromo-N-[(E)-(4-chlorophenyl)methylideneamino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off