N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-N-phenylaniline
Formula:C23H16N2OBrClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-N-phenylaniline is not a drug-like molecule.
| MolName | N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-N-phenylaniline |
| MolecularFormula | C23H16N2OBrClS |
| Smiles | Clc(cc1)ccc1Sc(oc(/C=N\N(c1ccccc1)c1ccccc1)c1)c1Br |
| InChI | InChI=1S/C23H16BrClN2OS/c24-22-15-20(28-23(22)29-21-13-11-17(25)12-14-21)16-26-27(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-16H |
| InChIK | NTFXPJQNHMVCTG-UHFFFAOYSA-N |
| TotalMolweight | 483.816 |
| Molweight | 483.816 |
| MonoisotopicMass | 481.985521 |
| CLogP | 7.6672 |
| CLogS | -8.527 |
| H Acceptors | 3 |
| TotalSurfaceArea | 328.83 |
| Relative PSA | 0.1419 |
| PolarSurfaceArea | 54.04 |
| Druglikeness | -1.9579 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 10 |
| StereoCon |
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