N'-(benzenesulfonyl)-N-cyanobenzenecarboximidamide
Formula:C14H11N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-(benzenesulfonyl)-N-cyanobenzenecarboximidamide is a drug-like molecule.
| MolName | N'-(benzenesulfonyl)-N-cyanobenzenecarboximidamide |
| MolecularFormula | C14H11N3O2S |
| Smiles | N#CN/C(/c1ccccc1)=N/S(c1ccccc1)(=O)=O |
| InChI | InChI=1S/C14H11N3O2S/c15-11-16-14(12-7-3-1-4-8-12)17-20(18,19)13-9-5-2-6-10-13/h1-10H,(H,16,17) |
| InChIK | BVLMZKSOKSLUSA-UHFFFAOYSA-N |
| TotalMolweight | 285.326 |
| Molweight | 285.326 |
| MonoisotopicMass | 285.057197 |
| CLogP | 1.9644 |
| CLogS | -3.047 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 217.74 |
| Relative PSA | 0.29903 |
| PolarSurfaceArea | 90.7 |
| Druglikeness | -8.1402 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| BasicNitrogens | 1 |
| StereoCon |
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