N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]thiophene-2-carboxamide
Formula:C13H10N2O2F2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]thiophene-2-carboxamide |
| MolecularFormula | C13H10N2O2F2S |
| Smiles | O=C(c1cccs1)N/N=C\c(cccc1)c1OC(F)F |
| InChI | InChI=1S/C13H10F2N2O2S/c14-13(15)19-10-5-2-1-4-9(10)8-16-17-12(18)11-6-3-7-20-11/h1-8,13H,(H,17,18) |
| InChIK | DQOLQCJFZOBQQJ-UHFFFAOYSA-N |
| TotalMolweight | 296.296 |
| Molweight | 296.296 |
| MonoisotopicMass | 296.043104 |
| CLogP | 3.2376 |
| CLogS | -4.353 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 218.13 |
| Relative PSA | 0.30427 |
| PolarSurfaceArea | 78.93 |
| Druglikeness | 3.2898 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 1 |
| StereoCon |
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