5-nitro-N-[(Z)-thiophen-2-ylmethylideneamino]-1-benzothiophene-2-carboxamide
Formula:C14H9N3O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-nitro-N-[(Z)-thiophen-2-ylmethylideneamino]-1-benzothiophene-2-carboxamide is a drug-like molecule.
| MolName | 5-nitro-N-[(Z)-thiophen-2-ylmethylideneamino]-1-benzothiophene-2-carboxamide |
| MolecularFormula | C14H9N3O3S2 |
| Smiles | [O-][N+](c(cc1)cc2c1sc(C(N/N=C\c1cccs1)=O)c2)=O |
| InChI | InChI=1S/C14H9N3O3S2/c18-14(16-15-8-11-2-1-5-21-11)13-7-9-6-10(17(19)20)3-4-12(9)22-13/h1-8H,(H,16,18) |
| InChIK | XOFIAPMOJQEBIG-UHFFFAOYSA-N |
| TotalMolweight | 331.375 |
| Molweight | 331.375 |
| MonoisotopicMass | 331.008532 |
| CLogP | 3.0678 |
| CLogS | -5.54 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 237.14 |
| Relative PSA | 0.45184 |
| PolarSurfaceArea | 143.76 |
| Druglikeness | 1.0917 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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