(Z)-3-[2-[(4-chlorophenyl)methylsulfanyl]quinolin-3-yl]-2-(3,4-dichlorophenyl)prop-2-enenitrile
Formula:C25H15N2Cl3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-[2-[(4-chlorophenyl)methylsulfanyl]quinolin-3-yl]-2-(3,4-dichlorophenyl)prop-2-enenitrile is not a drug-like molecule.
| MolName | (Z)-3-[2-[(4-chlorophenyl)methylsulfanyl]quinolin-3-yl]-2-(3,4-dichlorophenyl)prop-2-enenitrile |
| MolecularFormula | C25H15N2Cl3S |
| Smiles | N#C/C(/c(cc1)cc(Cl)c1Cl)=C\c1cc2ccccc2nc1SCc(cc1)ccc1Cl |
| InChI | InChI=1S/C25H15Cl3N2S/c26-21-8-5-16(6-9-21)15-31-25-19(11-18-3-1-2-4-24(18)30-25)12-20(14-29)17-7-10-22(27)23(28)13-17/h1-13H,15H2 |
| InChIK | SCBNDWDTGPKHHO-UHFFFAOYSA-N |
| TotalMolweight | 481.833 |
| Molweight | 481.833 |
| MonoisotopicMass | 480.002149 |
| CLogP | 7.5254 |
| CLogS | -8.735 |
| H Acceptors | 2 |
| TotalSurfaceArea | 350.07 |
| Relative PSA | 0.12003 |
| PolarSurfaceArea | 61.98 |
| Druglikeness | -4.2778 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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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1 - (Z)-3-[2-[(4-chlorophenyl)methylsulfanyl]quinolin-3-yl]-2-(3,4-dichlorophenyl)prop-2-enenitrile | 2 - (Z)-3-[2-[(4-chlorophenyl)methylsulfanyl]quinolin-3-yl]-2-(3,4-dichlorophenyl)prop-2-enenitrile
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