(E)-1-(3-bromophenyl)-N-(4-phenylpiperazin-1-yl)methanimine
Formula:C17H18N3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(3-bromophenyl)-N-(4-phenylpiperazin-1-yl)methanimine is a drug-like molecule.
| MolName | (E)-1-(3-bromophenyl)-N-(4-phenylpiperazin-1-yl)methanimine |
| MolecularFormula | C17H18N3Br |
| Smiles | Brc1cc(/C=N/N(CC2)CCN2c2ccccc2)ccc1 |
| InChI | InChI=1S/C17H18BrN3/c18-16-6-4-5-15(13-16)14-19-21-11-9-20(10-12-21)17-7-2-1-3-8-17/h1-8,13-14H,9-12H2 |
| InChIK | OFRHESBLIQXAEN-UHFFFAOYSA-N |
| TotalMolweight | 344.255 |
| Molweight | 344.255 |
| MonoisotopicMass | 343.068408 |
| CLogP | 3.8213 |
| CLogS | -4.012 |
| H Acceptors | 3 |
| TotalSurfaceArea | 238.55 |
| Relative PSA | 0.078013 |
| PolarSurfaceArea | 18.84 |
| Druglikeness | 4.9361 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-1-(3-bromophenyl)-N-(4-phenylpiperazin-1-yl)methanimine | 2 - (E)-1-(3-bromophenyl)-N-(4-phenylpiperazin-1-yl)methanimine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off