3-nitro-N-[(Z)-(5-phenylfuran-2-yl)methylideneamino]benzamide
Formula:C18H13N3O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-nitro-N-[(Z)-(5-phenylfuran-2-yl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 3-nitro-N-[(Z)-(5-phenylfuran-2-yl)methylideneamino]benzamide |
| MolecularFormula | C18H13N3O4 |
| Smiles | [O-][N+](c1cc(C(N/N=C\c2ccc(-c3ccccc3)o2)=O)ccc1)=O |
| InChI | InChI=1S/C18H13N3O4/c22-18(14-7-4-8-15(11-14)21(23)24)20-19-12-16-9-10-17(25-16)13-5-2-1-3-6-13/h1-12H,(H,20,22) |
| InChIK | YZILSZYYFXNYHI-UHFFFAOYSA-N |
| TotalMolweight | 335.318 |
| Molweight | 335.318 |
| MonoisotopicMass | 335.090607 |
| CLogP | 3.2189 |
| CLogS | -5.641 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 260.11 |
| Relative PSA | 0.30964 |
| PolarSurfaceArea | 100.42 |
| Druglikeness | 1.38 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; 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 | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-nitro-N-[(Z)-(5-phenylfuran-2-yl)methylideneamino]benzamide | 2 - 3-nitro-N-[(Z)-(5-phenylfuran-2-yl)methylideneamino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off