N-(4-chlorophenyl)-5-nitro-1-benzothiophene-2-carboxamide
Formula:C15H9N2O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(4-chlorophenyl)-5-nitro-1-benzothiophene-2-carboxamide is a drug-like molecule.
| MolName | N-(4-chlorophenyl)-5-nitro-1-benzothiophene-2-carboxamide |
| MolecularFormula | C15H9N2O3ClS |
| Smiles | [O-][N+](c(cc1)cc2c1sc(C(Nc(cc1)ccc1Cl)=O)c2)=O |
| InChI | InChI=1S/C15H9ClN2O3S/c16-10-1-3-11(4-2-10)17-15(19)14-8-9-7-12(18(20)21)5-6-13(9)22-14/h1-8H,(H,17,19) |
| InChIK | VYZJNXRLOHFPQZ-UHFFFAOYSA-N |
| TotalMolweight | 332.766 |
| Molweight | 332.766 |
| MonoisotopicMass | 332.00224 |
| CLogP | 3.4127 |
| CLogS | -5.673 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 231.86 |
| Relative PSA | 0.32468 |
| PolarSurfaceArea | 103.16 |
| Druglikeness | -2.332 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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