N'-(benzenesulfonyl)-3-nitrobenzenecarboximidamide
Formula:C13H11N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-(benzenesulfonyl)-3-nitrobenzenecarboximidamide is a drug-like molecule.
| MolName | N'-(benzenesulfonyl)-3-nitrobenzenecarboximidamide |
| MolecularFormula | C13H11N3O4S |
| Smiles | N/C(/c1cc([N+]([O-])=O)ccc1)=N\S(c1ccccc1)(=O)=O |
| InChI | InChI=1S/C13H11N3O4S/c14-13(10-5-4-6-11(9-10)16(17)18)15-21(19,20)12-7-2-1-3-8-12/h1-9H,(H2,14,15) |
| InChIK | LJKWNYJRAZCTOO-UHFFFAOYSA-N |
| TotalMolweight | 305.313 |
| Molweight | 305.313 |
| MonoisotopicMass | 305.047027 |
| CLogP | 0.7298 |
| CLogS | -3.257 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 216.76 |
| Relative PSA | 0.39574 |
| PolarSurfaceArea | 126.72 |
| Druglikeness | -12.31 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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