N-[(E)-[phenyl(thiophen-2-yl)methylidene]amino]aniline
Formula:C17H14N2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(E)-[phenyl(thiophen-2-yl)methylidene]amino]aniline is not a drug-like molecule.
| MolName | N-[(E)-[phenyl(thiophen-2-yl)methylidene]amino]aniline |
| MolecularFormula | C17H14N2S |
| Smiles | c1csc(/C(/c2ccccc2)=N/Nc2ccccc2)c1 |
| InChI | InChI=1S/C17H14N2S/c1-3-8-14(9-4-1)17(16-12-7-13-20-16)19-18-15-10-5-2-6-11-15/h1-13,18H |
| InChIK | UQGWGIVTLZIFDE-UHFFFAOYSA-N |
| TotalMolweight | 278.378 |
| Molweight | 278.378 |
| MonoisotopicMass | 278.087768 |
| CLogP | 5.9042 |
| CLogS | -4.935 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 223.15 |
| Relative PSA | 0.19417 |
| PolarSurfaceArea | 52.63 |
| Druglikeness | 3.3352 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| StereoCon |
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