2-(3-nitrophenyl)sulfonyl-1-(4-nitrophenyl)sulfonylguanidine
Formula:C13H11N5O8S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(3-nitrophenyl)sulfonyl-1-(4-nitrophenyl)sulfonylguanidine is not a drug-like molecule.
| MolName | 2-(3-nitrophenyl)sulfonyl-1-(4-nitrophenyl)sulfonylguanidine |
| MolecularFormula | C13H11N5O8S2 |
| Smiles | N/C(/NS(c(cc1)ccc1[N+]([O-])=O)(=O)=O)=N/S(c1cc([N+]([O-])=O)ccc1)(=O)=O |
| InChI | InChI=1S/C13H11N5O8S2/c14-13(15-27(23,24)11-6-4-9(5-7-11)17(19)20)16-28(25,26)12-3-1-2-10(8-12)18(21)22/h1-8H,(H3,14,15,16) |
| InChIK | RTJWDOJQMYVVOB-UHFFFAOYSA-N |
| TotalMolweight | 429.389 |
| Molweight | 429.389 |
| MonoisotopicMass | 429.004905 |
| CLogP | -0.7195 |
| CLogS | -3.726 |
| H Acceptors | 13 |
| H Donors | 2 |
| TotalSurfaceArea | 280.47 |
| Relative PSA | 0.55706 |
| PolarSurfaceArea | 227.09 |
| Druglikeness | -10.782 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 15 |
| Electronegative Atoms | 15 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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