(Z)-2-(3-chlorophenyl)-3-[2-[(4-chlorophenyl)methylsulfanyl]quinolin-3-yl]prop-2-enenitrile
Formula:C25H16N2Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-2-(3-chlorophenyl)-3-[2-[(4-chlorophenyl)methylsulfanyl]quinolin-3-yl]prop-2-enenitrile is not a drug-like molecule.
| MolName | (Z)-2-(3-chlorophenyl)-3-[2-[(4-chlorophenyl)methylsulfanyl]quinolin-3-yl]prop-2-enenitrile |
| MolecularFormula | C25H16N2Cl2S |
| Smiles | N#C/C(/c1cccc(Cl)c1)=C\c1cc2ccccc2nc1SCc(cc1)ccc1Cl |
| InChI | InChI=1S/C25H16Cl2N2S/c26-22-10-8-17(9-11-22)16-30-25-20(12-19-4-1-2-7-24(19)29-25)13-21(15-28)18-5-3-6-23(27)14-18/h1-14H,16H2 |
| InChIK | NSFMMORUFJSSBN-UHFFFAOYSA-N |
| TotalMolweight | 447.388 |
| Molweight | 447.388 |
| MonoisotopicMass | 446.041122 |
| CLogP | 6.9194 |
| CLogS | -7.999 |
| H Acceptors | 2 |
| TotalSurfaceArea | 334.65 |
| Relative PSA | 0.12556 |
| PolarSurfaceArea | 61.98 |
| Druglikeness | -4.2778 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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