(Z)-2-(2-fluorophenyl)-3-(2-phenylsulfanylphenyl)prop-2-enenitrile
Formula:C21H14NFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(Z)-2-(2-fluorophenyl)-3-(2-phenylsulfanylphenyl)prop-2-enenitrile is not a drug-like molecule.
| MolName | (Z)-2-(2-fluorophenyl)-3-(2-phenylsulfanylphenyl)prop-2-enenitrile |
| MolecularFormula | C21H14NFS |
| Smiles | N#C/C(/c(cccc1)c1F)=C\c(cccc1)c1Sc1ccccc1 |
| InChI | InChI=1S/C21H14FNS/c22-20-12-6-5-11-19(20)17(15-23)14-16-8-4-7-13-21(16)24-18-9-2-1-3-10-18/h1-14H |
| InChIK | HQUQSGSTIRWNTD-UHFFFAOYSA-N |
| TotalMolweight | 331.413 |
| Molweight | 331.413 |
| MonoisotopicMass | 331.083097 |
| CLogP | 5.2545 |
| CLogS | -5.729 |
| H Acceptors | 1 |
| TotalSurfaceArea | 263.04 |
| Relative PSA | 0.11804 |
| PolarSurfaceArea | 49.09 |
| Druglikeness | -5.857 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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