5-nitro-N-phenyl-1-benzothiophene-2-carboxamide
Formula:C15H10N2O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-nitro-N-phenyl-1-benzothiophene-2-carboxamide is a drug-like molecule.
| MolName | 5-nitro-N-phenyl-1-benzothiophene-2-carboxamide |
| MolecularFormula | C15H10N2O3S |
| Smiles | [O-][N+](c(cc1)cc2c1sc(C(Nc1ccccc1)=O)c2)=O |
| InChI | InChI=1S/C15H10N2O3S/c18-15(16-11-4-2-1-3-5-11)14-9-10-8-12(17(19)20)6-7-13(10)21-14/h1-9H,(H,16,18) |
| InChIK | VGJQBULWAVUUNC-UHFFFAOYSA-N |
| TotalMolweight | 298.321 |
| Molweight | 298.321 |
| MonoisotopicMass | 298.041213 |
| CLogP | 2.8067 |
| CLogS | -4.937 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 216.44 |
| Relative PSA | 0.34781 |
| PolarSurfaceArea | 103.16 |
| Druglikeness | -2.3963 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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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