N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]benzenesulfonamide
Formula:C14H12N2O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]benzenesulfonamide is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]benzenesulfonamide |
| MolecularFormula | C14H12N2O4S |
| Smiles | O=S(c1ccccc1)(N/N=C\c(cc1)cc2c1OCO2)=O |
| InChI | InChI=1S/C14H12N2O4S/c17-21(18,12-4-2-1-3-5-12)16-15-9-11-6-7-13-14(8-11)20-10-19-13/h1-9,16H,10H2 |
| InChIK | VKAMROFSOFVLAU-UHFFFAOYSA-N |
| TotalMolweight | 304.325 |
| Molweight | 304.325 |
| MonoisotopicMass | 304.051778 |
| CLogP | 2.3885 |
| CLogS | -2.627 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 218.08 |
| Relative PSA | 0.32809 |
| PolarSurfaceArea | 85.37 |
| Druglikeness | -4.7645 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| StereoCon |
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