(Z)-3-[2-(4-chlorophenyl)sulfanylphenyl]-2-(2-fluorophenyl)prop-2-enenitrile
Formula:C21H13NClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(Z)-3-[2-(4-chlorophenyl)sulfanylphenyl]-2-(2-fluorophenyl)prop-2-enenitrile is not a drug-like molecule.
| MolName | (Z)-3-[2-(4-chlorophenyl)sulfanylphenyl]-2-(2-fluorophenyl)prop-2-enenitrile |
| MolecularFormula | C21H13NClFS |
| Smiles | N#C/C(/c(cccc1)c1F)=C\c(cccc1)c1Sc(cc1)ccc1Cl |
| InChI | InChI=1S/C21H13ClFNS/c22-17-9-11-18(12-10-17)25-21-8-4-1-5-15(21)13-16(14-24)19-6-2-3-7-20(19)23/h1-13H |
| InChIK | UCEATPZZTPEIQU-UHFFFAOYSA-N |
| TotalMolweight | 365.858 |
| Molweight | 365.858 |
| MonoisotopicMass | 365.044124 |
| CLogP | 5.8605 |
| CLogS | -6.465 |
| H Acceptors | 1 |
| TotalSurfaceArea | 278.46 |
| Relative PSA | 0.11151 |
| PolarSurfaceArea | 49.09 |
| Druglikeness | -5.759 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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