N-[(Z)-(5-bromonaphthalen-2-yl)methylideneamino]aniline
Formula:C17H13N2Br
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(5-bromonaphthalen-2-yl)methylideneamino]aniline is not a drug-like molecule.
| MolName | N-[(Z)-(5-bromonaphthalen-2-yl)methylideneamino]aniline |
| MolecularFormula | C17H13N2Br |
| Smiles | Brc1cccc2cc(/C=N\Nc3ccccc3)ccc12 |
| InChI | InChI=1S/C17H13BrN2/c18-17-8-4-5-14-11-13(9-10-16(14)17)12-19-20-15-6-2-1-3-7-15/h1-12,20H |
| InChIK | CTIGYEJQXCSSSD-UHFFFAOYSA-N |
| TotalMolweight | 325.208 |
| Molweight | 325.208 |
| MonoisotopicMass | 324.026209 |
| CLogP | 6.7605 |
| CLogS | -5.589 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 222.47 |
| Relative PSA | 0.10325 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | 0.63254 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(5-bromonaphthalen-2-yl)methylideneamino]aniline | 2 - N-[(Z)-(5-bromonaphthalen-2-yl)methylideneamino]aniline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off