N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]thiophene-2-carboxamide
Formula:C16H11N3O4S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]thiophene-2-carboxamide |
| MolecularFormula | C16H11N3O4S |
| Smiles | [O-][N+](c(cc1)ccc1-c1ccc(/C=N\NC(c2cccs2)=O)o1)=O |
| InChI | InChI=1S/C16H11N3O4S/c20-16(15-2-1-9-24-15)18-17-10-13-7-8-14(23-13)11-3-5-12(6-4-11)19(21)22/h1-10H,(H,18,20) |
| InChIK | QLTFLYGKCFFNAN-UHFFFAOYSA-N |
| TotalMolweight | 341.346 |
| Molweight | 341.346 |
| MonoisotopicMass | 341.047027 |
| CLogP | 3.0855 |
| CLogS | -5.651 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 256.05 |
| Relative PSA | 0.39406 |
| PolarSurfaceArea | 128.66 |
| Druglikeness | 2.759 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]thiophene-2-carboxamide | 2 - N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]thiophene-2-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off