2,4-difluoro-N-[(Z)-(3-phenoxythiophen-2-yl)methylideneamino]aniline
Formula:C17H12N2OF2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,4-difluoro-N-[(Z)-(3-phenoxythiophen-2-yl)methylideneamino]aniline is not a drug-like molecule.
| MolName | 2,4-difluoro-N-[(Z)-(3-phenoxythiophen-2-yl)methylideneamino]aniline |
| MolecularFormula | C17H12N2OF2S |
| Smiles | Fc(cc1)cc(F)c1N/N=C\c(scc1)c1Oc1ccccc1 |
| InChI | InChI=1S/C17H12F2N2OS/c18-12-6-7-15(14(19)10-12)21-20-11-17-16(8-9-23-17)22-13-4-2-1-3-5-13/h1-11,21H |
| InChIK | CXBQAGORGPQZIK-UHFFFAOYSA-N |
| TotalMolweight | 330.357 |
| Molweight | 330.357 |
| MonoisotopicMass | 330.063839 |
| CLogP | 6.3047 |
| CLogS | -6.084 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 247.64 |
| Relative PSA | 0.21535 |
| PolarSurfaceArea | 61.86 |
| Druglikeness | 1.7833 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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