N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-N-phenylaniline
Formula:C23H17N2OBr
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-N-phenylaniline is not a drug-like molecule.
| MolName | N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-N-phenylaniline |
| MolecularFormula | C23H17N2OBr |
| Smiles | Brc(cc1)ccc1-c1ccc(/C=N\N(c2ccccc2)c2ccccc2)o1 |
| InChI | InChI=1S/C23H17BrN2O/c24-19-13-11-18(12-14-19)23-16-15-22(27-23)17-25-26(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-17H |
| InChIK | WDKRZMLVROCPJY-UHFFFAOYSA-N |
| TotalMolweight | 417.305 |
| Molweight | 417.305 |
| MonoisotopicMass | 416.052424 |
| CLogP | 6.8929 |
| CLogS | -8.02 |
| H Acceptors | 3 |
| TotalSurfaceArea | 295.92 |
| Relative PSA | 0.098574 |
| PolarSurfaceArea | 28.74 |
| Druglikeness | 3.91 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 10 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-N-phenylaniline | 2 - N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-N-phenylaniline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off