N-benzyl-N-[(Z)-(2-bromophenyl)methylideneamino]aniline
Formula:C20H17N2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-benzyl-N-[(Z)-(2-bromophenyl)methylideneamino]aniline is not a drug-like molecule.
| MolName | N-benzyl-N-[(Z)-(2-bromophenyl)methylideneamino]aniline |
| MolecularFormula | C20H17N2Br |
| Smiles | Brc1c(/C=N\N(Cc2ccccc2)c2ccccc2)cccc1 |
| InChI | InChI=1S/C20H17BrN2/c21-20-14-8-7-11-18(20)15-22-23(19-12-5-2-6-13-19)16-17-9-3-1-4-10-17/h1-15H,16H2 |
| InChIK | BYLNTMNKPGILPT-UHFFFAOYSA-N |
| TotalMolweight | 365.273 |
| Molweight | 365.273 |
| MonoisotopicMass | 364.057509 |
| CLogP | 5.697 |
| CLogS | -5.136 |
| H Acceptors | 2 |
| TotalSurfaceArea | 260.23 |
| Relative PSA | 0.057872 |
| PolarSurfaceArea | 15.6 |
| Druglikeness | 2.2884 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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