N-[(E)-1H-isothiochromen-4-ylideneamino]aniline
Formula:C15H14N2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(E)-1H-isothiochromen-4-ylideneamino]aniline is not a drug-like molecule.
| MolName | N-[(E)-1H-isothiochromen-4-ylideneamino]aniline |
| MolecularFormula | C15H14N2S |
| Smiles | C(c1c2cccc1)SC/C2=N/Nc1ccccc1 |
| InChI | InChI=1S/C15H14N2S/c1-2-7-13(8-3-1)16-17-15-11-18-10-12-6-4-5-9-14(12)15/h1-9,16H,10-11H2 |
| InChIK | BWPVGZSMJTWVQW-UHFFFAOYSA-N |
| TotalMolweight | 254.356 |
| Molweight | 254.356 |
| MonoisotopicMass | 254.087768 |
| CLogP | 5.1383 |
| CLogS | -4.379 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 198.96 |
| Relative PSA | 0.20336 |
| PolarSurfaceArea | 49.69 |
| Druglikeness | 1.5075 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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