N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]aniline
Formula:C17H13N2OClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]aniline is not a drug-like molecule.
| MolName | N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]aniline |
| MolecularFormula | C17H13N2OClS |
| Smiles | Clc(cc1)ccc1Sc1ccc(/C=N\Nc2ccccc2)o1 |
| InChI | InChI=1S/C17H13ClN2OS/c18-13-6-9-16(10-7-13)22-17-11-8-15(21-17)12-19-20-14-4-2-1-3-5-14/h1-12,20H |
| InChIK | BVYRARPQDANEAN-UHFFFAOYSA-N |
| TotalMolweight | 328.822 |
| Molweight | 328.822 |
| MonoisotopicMass | 328.04371 |
| CLogP | 6.5541 |
| CLogS | -5.116 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 251.6 |
| Relative PSA | 0.21689 |
| PolarSurfaceArea | 62.83 |
| Druglikeness | 4.6457 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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