4-hydroxy-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
Formula:C18H13N3O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-hydroxy-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-hydroxy-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide |
| MolecularFormula | C18H13N3O5 |
| Smiles | [O-][N+](c(cc1)ccc1-c1ccc(/C=N\NC(c(cc2)ccc2O)=O)o1)=O |
| InChI | InChI=1S/C18H13N3O5/c22-15-7-3-13(4-8-15)18(23)20-19-11-16-9-10-17(26-16)12-1-5-14(6-2-12)21(24)25/h1-11,22H,(H,20,23) |
| InChIK | OXDQUHGKEWFYGX-UHFFFAOYSA-N |
| TotalMolweight | 351.317 |
| Molweight | 351.317 |
| MonoisotopicMass | 351.085522 |
| CLogP | 2.8732 |
| CLogS | -5.345 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 266.46 |
| Relative PSA | 0.35142 |
| PolarSurfaceArea | 120.65 |
| Druglikeness | 1.3753 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-hydroxy-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide | 2 - 4-hydroxy-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off