2-(4-bromonaphthalen-1-yl)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
Formula:C19H14N2OBrF
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-(4-bromonaphthalen-1-yl)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(4-bromonaphthalen-1-yl)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide |
| MolecularFormula | C19H14N2OBrF |
| Smiles | O=C(Cc(c1ccccc11)ccc1Br)N/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C19H14BrFN2O/c20-18-10-7-14(16-3-1-2-4-17(16)18)11-19(24)23-22-12-13-5-8-15(21)9-6-13/h1-10,12H,11H2,(H,23,24) |
| InChIK | ZFMZOLCWHWVZDE-UHFFFAOYSA-N |
| TotalMolweight | 385.235 |
| Molweight | 385.235 |
| MonoisotopicMass | 384.027352 |
| CLogP | 5.2201 |
| CLogS | -6.44 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 260.33 |
| Relative PSA | 0.13832 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 1.2405 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-(4-bromonaphthalen-1-yl)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide | 2 - 2-(4-bromonaphthalen-1-yl)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off