N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide
Formula:C14H8N3O4BrS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide |
| MolecularFormula | C14H8N3O4BrS |
| Smiles | [O-][N+](c(cc1)cc2c1sc(C(N/N=C\c(o1)ccc1Br)=O)c2)=O |
| InChI | InChI=1S/C14H8BrN3O4S/c15-13-4-2-10(22-13)7-16-17-14(19)12-6-8-5-9(18(20)21)1-3-11(8)23-12/h1-7H,(H,17,19) |
| InChIK | ZEDOAYAZGFGCOB-UHFFFAOYSA-N |
| TotalMolweight | 394.205 |
| Molweight | 394.205 |
| MonoisotopicMass | 392.941888 |
| CLogP | 3.2125 |
| CLogS | -5.809 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 249.52 |
| Relative PSA | 0.40438 |
| PolarSurfaceArea | 128.66 |
| Druglikeness | -0.91594 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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