N'-(benzenesulfonyl)-4-chloro-N-(2-nitrophenyl)benzenecarboximidamide
Formula:C19H14N3O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-(benzenesulfonyl)-4-chloro-N-(2-nitrophenyl)benzenecarboximidamide is a drug-like molecule.
| MolName | N'-(benzenesulfonyl)-4-chloro-N-(2-nitrophenyl)benzenecarboximidamide |
| MolecularFormula | C19H14N3O4ClS |
| Smiles | [O-][N+](c(cccc1)c1N/C(/c(cc1)ccc1Cl)=N/S(c1ccccc1)(=O)=O)=O |
| InChI | InChI=1S/C19H14ClN3O4S/c20-15-12-10-14(11-13-15)19(21-17-8-4-5-9-18(17)23(24)25)22-28(26,27)16-6-2-1-3-7-16/h1-13H,(H,21,22) |
| InChIK | CMTHSFOPPBIIGL-UHFFFAOYSA-N |
| TotalMolweight | 415.856 |
| Molweight | 415.856 |
| MonoisotopicMass | 415.039354 |
| CLogP | 3.396 |
| CLogS | -5.416 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 294.88 |
| Relative PSA | 0.27798 |
| PolarSurfaceArea | 112.73 |
| Druglikeness | -11.789 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.42857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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