N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
Formula:C17H13N3O2Br2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide |
| MolecularFormula | C17H13N3O2Br2 |
| Smiles | O=C(CNc1cc2ccccc2cc1)N/N=C\c(o1)cc(Br)c1Br |
| InChI | InChI=1S/C17H13Br2N3O2/c18-15-8-14(24-17(15)19)9-21-22-16(23)10-20-13-6-5-11-3-1-2-4-12(11)7-13/h1-9,20H,10H2,(H,22,23) |
| InChIK | VDTDSODNMJNFHT-UHFFFAOYSA-N |
| TotalMolweight | 451.117 |
| Molweight | 451.117 |
| MonoisotopicMass | 448.937449 |
| CLogP | 4.4244 |
| CLogS | -6.262 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 273.76 |
| Relative PSA | 0.22494 |
| PolarSurfaceArea | 66.63 |
| Druglikeness | -0.26337 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 1,2-dihalo-alkene; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide | 2 - N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off