N'-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
Formula:C14H9N4O4F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide |
| MolecularFormula | C14H9N4O4F3S |
| Smiles | [O-][N+](c1ccc(/C=N\NC(C(Nc2cc(C(F)(F)F)ccc2)=O)=O)s1)=O |
| InChI | InChI=1S/C14H9F3N4O4S/c15-14(16,17)8-2-1-3-9(6-8)19-12(22)13(23)20-18-7-10-4-5-11(26-10)21(24)25/h1-7H,(H,19,22)(H,20,23) |
| InChIK | MLVOVXOTFAAGBH-UHFFFAOYSA-N |
| TotalMolweight | 386.309 |
| Molweight | 386.309 |
| MonoisotopicMass | 386.02966 |
| CLogP | 2.1268 |
| CLogS | -4.923 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 265.27 |
| Relative PSA | 0.41953 |
| PolarSurfaceArea | 144.62 |
| Druglikeness | -7.471 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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