N-(4-bromophenyl)-N'-[(Z)-(2-fluorophenyl)methylideneamino]butanediamide
Formula:C17H15N3O2BrF
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-(4-bromophenyl)-N'-[(Z)-(2-fluorophenyl)methylideneamino]butanediamide is a drug-like molecule.
| MolName | N-(4-bromophenyl)-N'-[(Z)-(2-fluorophenyl)methylideneamino]butanediamide |
| MolecularFormula | C17H15N3O2BrF |
| Smiles | O=C(CCC(N/N=C\c(cccc1)c1F)=O)Nc(cc1)ccc1Br |
| InChI | InChI=1S/C17H15BrFN3O2/c18-13-5-7-14(8-6-13)21-16(23)9-10-17(24)22-20-11-12-3-1-2-4-15(12)19/h1-8,11H,9-10H2,(H,21,23)(H,22,24) |
| InChIK | WAWRBHILLHRGHT-UHFFFAOYSA-N |
| TotalMolweight | 392.227 |
| Molweight | 392.227 |
| MonoisotopicMass | 391.033166 |
| CLogP | 3.8787 |
| CLogS | -5.213 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 268.7 |
| Relative PSA | 0.2252 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 0.45496 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-(4-bromophenyl)-N'-[(Z)-(2-fluorophenyl)methylideneamino]butanediamide | 2 - N-(4-bromophenyl)-N'-[(Z)-(2-fluorophenyl)methylideneamino]butanediamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off