2-(3-bromophenoxy)-N-[(Z)-(4-oxochromen-3-yl)methylideneamino]acetamide
Formula:C18H13N2O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(3-bromophenoxy)-N-[(Z)-(4-oxochromen-3-yl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(3-bromophenoxy)-N-[(Z)-(4-oxochromen-3-yl)methylideneamino]acetamide |
| MolecularFormula | C18H13N2O4Br |
| Smiles | O=C(COc1cccc(Br)c1)N/N=C\C1=COc(cccc2)c2C1=O |
| InChI | InChI=1S/C18H13BrN2O4/c19-13-4-3-5-14(8-13)24-11-17(22)21-20-9-12-10-25-16-7-2-1-6-15(16)18(12)23/h1-10H,11H2,(H,21,22) |
| InChIK | XVMQXCPASMAQJL-UHFFFAOYSA-N |
| TotalMolweight | 401.215 |
| Molweight | 401.215 |
| MonoisotopicMass | 400.005869 |
| CLogP | 2.6191 |
| CLogS | -4.885 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 268.34 |
| Relative PSA | 0.25732 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 3.0901 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| StereoCon |
Click to Load Molecule:
1 - 2-(3-bromophenoxy)-N-[(Z)-(4-oxochromen-3-yl)methylideneamino]acetamide | 2 - 2-(3-bromophenoxy)-N-[(Z)-(4-oxochromen-3-yl)methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off