N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-2,2-diphenylacetamide
Formula:C19H15N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-2,2-diphenylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-2,2-diphenylacetamide |
| MolecularFormula | C19H15N3O3S |
| Smiles | [O-][N+](c1ccc(/C=N\NC(C(c2ccccc2)c2ccccc2)=O)s1)=O |
| InChI | InChI=1S/C19H15N3O3S/c23-19(21-20-13-16-11-12-17(26-16)22(24)25)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,18H,(H,21,23) |
| InChIK | WYZRYOZNKMEFER-UHFFFAOYSA-N |
| TotalMolweight | 365.412 |
| Molweight | 365.412 |
| MonoisotopicMass | 365.083412 |
| CLogP | 3.8619 |
| CLogS | -5.455 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 278.86 |
| Relative PSA | 0.31123 |
| PolarSurfaceArea | 115.52 |
| Druglikeness | 1.13 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| AcidicOxygens | 1 |
| StereoCon |
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