N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide
Formula:C19H15N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide |
| MolecularFormula | C19H15N3O4S |
| Smiles | [O-][N+](c1ccc(/C=N\NC(COc(cccc2)c2-c2ccccc2)=O)s1)=O |
| InChI | InChI=1S/C19H15N3O4S/c23-18(21-20-12-15-10-11-19(27-15)22(24)25)13-26-17-9-5-4-8-16(17)14-6-2-1-3-7-14/h1-12H,13H2,(H,21,23) |
| InChIK | QGQIHLYYVSTBMO-UHFFFAOYSA-N |
| TotalMolweight | 381.411 |
| Molweight | 381.411 |
| MonoisotopicMass | 381.078327 |
| CLogP | 3.5703 |
| CLogS | -6.207 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 290.12 |
| Relative PSA | 0.33362 |
| PolarSurfaceArea | 124.75 |
| Druglikeness | 0.36775 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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