(NE)-4-nitro-N-(oxan-2-ylidene)benzenesulfonamide
Formula:C11H12N2O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-4-nitro-N-(oxan-2-ylidene)benzenesulfonamide is a drug-like molecule.
| MolName | (NE)-4-nitro-N-(oxan-2-ylidene)benzenesulfonamide |
| MolecularFormula | C11H12N2O5S |
| Smiles | [O-][N+](c(cc1)ccc1S(/N=C1/OCCCC1)(=O)=O)=O |
| InChI | InChI=1S/C11H12N2O5S/c14-13(15)9-4-6-10(7-5-9)19(16,17)12-11-3-1-2-8-18-11/h4-7H,1-3,8H2 |
| InChIK | NNYOCYXJLZGUHP-UHFFFAOYSA-N |
| TotalMolweight | 284.291 |
| Molweight | 284.291 |
| MonoisotopicMass | 284.046693 |
| CLogP | 0.6028 |
| CLogS | -2.795 |
| H Acceptors | 7 |
| TotalSurfaceArea | 200.02 |
| Relative PSA | 0.40251 |
| PolarSurfaceArea | 109.93 |
| Druglikeness | -13.993 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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