(NZ)-N-[azepan-1-yl-(4-fluorophenyl)methylidene]benzenesulfonamide
Formula:C19H21N2O2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[azepan-1-yl-(4-fluorophenyl)methylidene]benzenesulfonamide is a drug-like molecule.
| MolName | (NZ)-N-[azepan-1-yl-(4-fluorophenyl)methylidene]benzenesulfonamide |
| MolecularFormula | C19H21N2O2FS |
| Smiles | O=S(c1ccccc1)(/N=C(/c(cc1)ccc1F)\N1CCCCCC1)=O |
| InChI | InChI=1S/C19H21FN2O2S/c20-17-12-10-16(11-13-17)19(22-14-6-1-2-7-15-22)21-25(23,24)18-8-4-3-5-9-18/h3-5,8-13H,1-2,6-7,14-15H2 |
| InChIK | PDWSAJQSZBTLEC-UHFFFAOYSA-N |
| TotalMolweight | 360.452 |
| Molweight | 360.452 |
| MonoisotopicMass | 360.130776 |
| CLogP | 4.1433 |
| CLogS | -3.891 |
| H Acceptors | 4 |
| TotalSurfaceArea | 270.28 |
| Relative PSA | 0.16146 |
| PolarSurfaceArea | 58.12 |
| Druglikeness | -9.1742 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 8 |
| BasicNitrogens | 1 |
| StereoCon |
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