N-[(Z)-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylideneamino]thiophene-2-carboxamide
Formula:C19H12N3O4F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylideneamino]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylideneamino]thiophene-2-carboxamide |
| MolecularFormula | C19H12N3O4F3S |
| Smiles | [O-][N+](c(cc(C(F)(F)F)cc1)c1Oc1ccc(/C=N\NC(c2cccs2)=O)cc1)=O |
| InChI | InChI=1S/C19H12F3N3O4S/c20-19(21,22)13-5-8-16(15(10-13)25(27)28)29-14-6-3-12(4-7-14)11-23-24-18(26)17-2-1-9-30-17/h1-11H,(H,24,26) |
| InChIK | SKXQXVDBVIFYGE-UHFFFAOYSA-N |
| TotalMolweight | 435.381 |
| Molweight | 435.381 |
| MonoisotopicMass | 435.050061 |
| CLogP | 4.3905 |
| CLogS | -7.266 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 305.82 |
| Relative PSA | 0.31649 |
| PolarSurfaceArea | 124.75 |
| Druglikeness | -6.1494 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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