N-(2,4-dichlorophenyl)-5-nitro-1-benzothiophene-2-carboxamide
Formula:C15H8N2O3Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(2,4-dichlorophenyl)-5-nitro-1-benzothiophene-2-carboxamide is a drug-like molecule.
| MolName | N-(2,4-dichlorophenyl)-5-nitro-1-benzothiophene-2-carboxamide |
| MolecularFormula | C15H8N2O3Cl2S |
| Smiles | [O-][N+](c(cc1)cc2c1sc(C(Nc(ccc(Cl)c1)c1Cl)=O)c2)=O |
| InChI | InChI=1S/C15H8Cl2N2O3S/c16-9-1-3-12(11(17)7-9)18-15(20)14-6-8-5-10(19(21)22)2-4-13(8)23-14/h1-7H,(H,18,20) |
| InChIK | YPLKXHWRWUPTGY-UHFFFAOYSA-N |
| TotalMolweight | 367.212 |
| Molweight | 367.212 |
| MonoisotopicMass | 365.963267 |
| CLogP | 4.0187 |
| CLogS | -6.409 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 247.28 |
| Relative PSA | 0.30443 |
| PolarSurfaceArea | 103.16 |
| Druglikeness | -2.332 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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