N-[(Z)-[(4-bromophenyl)-phenylmethylidene]amino]-2-chloroacetamide
Formula:C15H12N2OBrCl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[(4-bromophenyl)-phenylmethylidene]amino]-2-chloroacetamide is a drug-like molecule.
| MolName | N-[(Z)-[(4-bromophenyl)-phenylmethylidene]amino]-2-chloroacetamide |
| MolecularFormula | C15H12N2OBrCl |
| Smiles | O=C(CCl)N/N=C(/c1ccccc1)\c(cc1)ccc1Br |
| InChI | InChI=1S/C15H12BrClN2O/c16-13-8-6-12(7-9-13)15(19-18-14(20)10-17)11-4-2-1-3-5-11/h1-9H,10H2,(H,18,20) |
| InChIK | NIZMNOJHFRUFQF-UHFFFAOYSA-N |
| TotalMolweight | 351.63 |
| Molweight | 351.63 |
| MonoisotopicMass | 349.982151 |
| CLogP | 3.909 |
| CLogS | -5.562 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 233.01 |
| Relative PSA | 0.15454 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 1.3533 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[(4-bromophenyl)-phenylmethylidene]amino]-2-chloroacetamide | 2 - N-[(Z)-[(4-bromophenyl)-phenylmethylidene]amino]-2-chloroacetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off