(1Z)-1-(4-chlorophenyl)sulfonyl-N-(4-fluoroanilino)methanimidoyl cyanide
Formula:C14H9N3O2ClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1Z)-1-(4-chlorophenyl)sulfonyl-N-(4-fluoroanilino)methanimidoyl cyanide is a drug-like molecule.
| MolName | (1Z)-1-(4-chlorophenyl)sulfonyl-N-(4-fluoroanilino)methanimidoyl cyanide |
| MolecularFormula | C14H9N3O2ClFS |
| Smiles | N#C/C(/S(c(cc1)ccc1Cl)(=O)=O)=N/Nc(cc1)ccc1F |
| InChI | InChI=1S/C14H9ClFN3O2S/c15-10-1-7-13(8-2-10)22(20,21)14(9-17)19-18-12-5-3-11(16)4-6-12/h1-8,18H |
| InChIK | HVZJIRSUEDKKGG-UHFFFAOYSA-N |
| TotalMolweight | 337.761 |
| Molweight | 337.761 |
| MonoisotopicMass | 337.008802 |
| CLogP | 3.2353 |
| CLogS | -3.822 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 239.51 |
| Relative PSA | 0.27185 |
| PolarSurfaceArea | 90.7 |
| Druglikeness | -3.6335 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| StereoCon |
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