N-[(Z)-(3-phenoxythiophen-2-yl)methylideneamino]aniline
Formula:C17H14N2OS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(3-phenoxythiophen-2-yl)methylideneamino]aniline is not a drug-like molecule.
| MolName | N-[(Z)-(3-phenoxythiophen-2-yl)methylideneamino]aniline |
| MolecularFormula | C17H14N2OS |
| Smiles | C(c(scc1)c1Oc1ccccc1)=N\Nc1ccccc1 |
| InChI | InChI=1S/C17H14N2OS/c1-3-7-14(8-4-1)19-18-13-17-16(11-12-21-17)20-15-9-5-2-6-10-15/h1-13,19H |
| InChIK | MMFNTRYDMIFFMF-UHFFFAOYSA-N |
| TotalMolweight | 294.377 |
| Molweight | 294.377 |
| MonoisotopicMass | 294.082683 |
| CLogP | 6.1031 |
| CLogS | -5.456 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 234.94 |
| Relative PSA | 0.22699 |
| PolarSurfaceArea | 61.86 |
| Druglikeness | 3.1233 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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