[4-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]phenyl]methyl N'-(3-chlorophenyl)carbamimidothioate
Formula:C22H17N2Cl2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
[4-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]phenyl]methyl N'-(3-chlorophenyl)carbamimidothioate is not a drug-like molecule.
| MolName | [4-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]phenyl]methyl N'-(3-chlorophenyl)carbamimidothioate |
| MolecularFormula | C22H17N2Cl2FS |
| Smiles | N/C(/SCc1ccc(/C=C/c(c(F)ccc2)c2Cl)cc1)=N\c1cc(Cl)ccc1 |
| InChI | InChI=1S/C22H17Cl2FN2S/c23-17-3-1-4-18(13-17)27-22(26)28-14-16-9-7-15(8-10-16)11-12-19-20(24)5-2-6-21(19)25/h1-13H,14H2,(H2,26,27) |
| InChIK | FJRLLHIMCVPUPX-UHFFFAOYSA-N |
| TotalMolweight | 431.361 |
| Molweight | 431.361 |
| MonoisotopicMass | 430.04735 |
| CLogP | 6.3583 |
| CLogS | -8.064 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 319.21 |
| Relative PSA | 0.13869 |
| PolarSurfaceArea | 63.68 |
| Druglikeness | -1.3042 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [4-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]phenyl]methyl N'-(3-chlorophenyl)carbamimidothioate | 2 - [4-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]phenyl]methyl N'-(3-chlorophenyl)carbamimidothioate
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