(NZ)-N-[azepan-1-yl(phenyl)methylidene]benzenesulfonamide
Formula:C19H22N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[azepan-1-yl(phenyl)methylidene]benzenesulfonamide is a drug-like molecule.
| MolName | (NZ)-N-[azepan-1-yl(phenyl)methylidene]benzenesulfonamide |
| MolecularFormula | C19H22N2O2S |
| Smiles | O=S(c1ccccc1)(/N=C(/c1ccccc1)\N1CCCCCC1)=O |
| InChI | InChI=1S/C19H22N2O2S/c22-24(23,18-13-7-4-8-14-18)20-19(17-11-5-3-6-12-17)21-15-9-1-2-10-16-21/h3-8,11-14H,1-2,9-10,15-16H2 |
| InChIK | CGCPMFVNBGHNFZ-UHFFFAOYSA-N |
| TotalMolweight | 342.462 |
| Molweight | 342.462 |
| MonoisotopicMass | 342.140198 |
| CLogP | 4.0425 |
| CLogS | -3.577 |
| H Acceptors | 4 |
| TotalSurfaceArea | 263.93 |
| Relative PSA | 0.16535 |
| PolarSurfaceArea | 58.12 |
| Druglikeness | -7.9365 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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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