2-nitro-N-[(Z)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]benzamide
Formula:C16H11N3O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-nitro-N-[(Z)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 2-nitro-N-[(Z)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]benzamide |
| MolecularFormula | C16H11N3O3S2 |
| Smiles | [O-][N+](c(cccc1)c1C(N/N=C\c1ccc(-c2cccs2)s1)=O)=O |
| InChI | InChI=1S/C16H11N3O3S2/c20-16(12-4-1-2-5-13(12)19(21)22)18-17-10-11-7-8-15(24-11)14-6-3-9-23-14/h1-10H,(H,18,20) |
| InChIK | ZFAXGDQDQJYJIW-UHFFFAOYSA-N |
| TotalMolweight | 357.413 |
| Molweight | 357.413 |
| MonoisotopicMass | 357.024182 |
| CLogP | 4.0684 |
| CLogS | -6.219 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 262.3 |
| Relative PSA | 0.4085 |
| PolarSurfaceArea | 143.76 |
| Druglikeness | 1.1 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| 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 |
| AcidicOxygens | 1 |
| StereoCon |
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