N-[(Z)-[5-(4-nitrophenyl)thiophen-2-yl]methylideneamino]benzamide
Formula:C18H13N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[5-(4-nitrophenyl)thiophen-2-yl]methylideneamino]benzamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(4-nitrophenyl)thiophen-2-yl]methylideneamino]benzamide |
| MolecularFormula | C18H13N3O3S |
| Smiles | [O-][N+](c(cc1)ccc1-c1ccc(/C=N\NC(c2ccccc2)=O)s1)=O |
| InChI | InChI=1S/C18H13N3O3S/c22-18(14-4-2-1-3-5-14)20-19-12-16-10-11-17(25-16)13-6-8-15(9-7-13)21(23)24/h1-12H,(H,20,22) |
| InChIK | TYZPYEHEZJQGAN-UHFFFAOYSA-N |
| TotalMolweight | 351.385 |
| Molweight | 351.385 |
| MonoisotopicMass | 351.067762 |
| CLogP | 4.0449 |
| CLogS | -6.298 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 266.36 |
| Relative PSA | 0.32584 |
| PolarSurfaceArea | 115.52 |
| Druglikeness | 0.45399 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| 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 | 4 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[5-(4-nitrophenyl)thiophen-2-yl]methylideneamino]benzamide | 2 - N-[(Z)-[5-(4-nitrophenyl)thiophen-2-yl]methylideneamino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off