(Z)-3-[2-[(4-chlorophenyl)methylsulfanyl]quinolin-3-yl]-2-phenylprop-2-enenitrile
Formula:C25H17N2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-[2-[(4-chlorophenyl)methylsulfanyl]quinolin-3-yl]-2-phenylprop-2-enenitrile is not a drug-like molecule.
| MolName | (Z)-3-[2-[(4-chlorophenyl)methylsulfanyl]quinolin-3-yl]-2-phenylprop-2-enenitrile |
| MolecularFormula | C25H17N2ClS |
| Smiles | N#C/C(/c1ccccc1)=C\c1cc2ccccc2nc1SCc(cc1)ccc1Cl |
| InChI | InChI=1S/C25H17ClN2S/c26-23-12-10-18(11-13-23)17-29-25-21(14-20-8-4-5-9-24(20)28-25)15-22(16-27)19-6-2-1-3-7-19/h1-15H,17H2 |
| InChIK | DWNATDYGXJWTIC-UHFFFAOYSA-N |
| TotalMolweight | 412.943 |
| Molweight | 412.943 |
| MonoisotopicMass | 412.080095 |
| CLogP | 6.3134 |
| CLogS | -7.263 |
| H Acceptors | 2 |
| TotalSurfaceArea | 319.23 |
| Relative PSA | 0.13163 |
| PolarSurfaceArea | 61.98 |
| Druglikeness | -4.2778 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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