(1Z)-1-(benzenesulfonyl)-N-(4-fluoroanilino)methanimidoyl cyanide
Formula:C14H10N3O2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1Z)-1-(benzenesulfonyl)-N-(4-fluoroanilino)methanimidoyl cyanide is a drug-like molecule.
| MolName | (1Z)-1-(benzenesulfonyl)-N-(4-fluoroanilino)methanimidoyl cyanide |
| MolecularFormula | C14H10N3O2FS |
| Smiles | N#C/C(/S(c1ccccc1)(=O)=O)=N/Nc(cc1)ccc1F |
| InChI | InChI=1S/C14H10FN3O2S/c15-11-6-8-12(9-7-11)17-18-14(10-16)21(19,20)13-4-2-1-3-5-13/h1-9,17H |
| InChIK | JTHGAHDYZZOFFB-UHFFFAOYSA-N |
| TotalMolweight | 303.316 |
| Molweight | 303.316 |
| MonoisotopicMass | 303.047775 |
| CLogP | 2.6293 |
| CLogS | -3.086 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 224.09 |
| Relative PSA | 0.29055 |
| PolarSurfaceArea | 90.7 |
| Druglikeness | -12.6 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| StereoCon |
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