N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]thiophene-2-carboxamide
Formula:C16H10N3O4ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]thiophene-2-carboxamide |
| MolecularFormula | C16H10N3O4ClS |
| Smiles | [O-][N+](c(cc(cc1)Cl)c1-c1ccc(/C=N\NC(c2cccs2)=O)o1)=O |
| InChI | InChI=1S/C16H10ClN3O4S/c17-10-3-5-12(13(8-10)20(22)23)14-6-4-11(24-14)9-18-19-16(21)15-2-1-7-25-15/h1-9H,(H,19,21) |
| InChIK | XWGPAEYNYGKNRN-UHFFFAOYSA-N |
| TotalMolweight | 375.791 |
| Molweight | 375.791 |
| MonoisotopicMass | 375.008054 |
| CLogP | 3.6915 |
| CLogS | -6.387 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 271.47 |
| Relative PSA | 0.37168 |
| PolarSurfaceArea | 128.66 |
| Druglikeness | 2.7944 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]thiophene-2-carboxamide | 2 - N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]thiophene-2-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off