N'-(benzenesulfonyl)-N-(2,4-dinitrophenyl)benzenecarboximidamide
Formula:C19H14N4O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-(benzenesulfonyl)-N-(2,4-dinitrophenyl)benzenecarboximidamide is a drug-like molecule.
| MolName | N'-(benzenesulfonyl)-N-(2,4-dinitrophenyl)benzenecarboximidamide |
| MolecularFormula | C19H14N4O6S |
| Smiles | [O-][N+](c(cc1)cc([N+]([O-])=O)c1N/C(/c1ccccc1)=N/S(c1ccccc1)(=O)=O)=O |
| InChI | InChI=1S/C19H14N4O6S/c24-22(25)15-11-12-17(18(13-15)23(26)27)20-19(14-7-3-1-4-8-14)21-30(28,29)16-9-5-2-6-10-16/h1-13H,(H,20,21) |
| InChIK | PQAGVKDWQMEVLX-UHFFFAOYSA-N |
| TotalMolweight | 426.408 |
| Molweight | 426.408 |
| MonoisotopicMass | 426.063406 |
| CLogP | 1.8684 |
| CLogS | -5.14 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 303.13 |
| Relative PSA | 0.37077 |
| PolarSurfaceArea | 158.55 |
| Druglikeness | -16.252 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| BasicNitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N'-(benzenesulfonyl)-N-(2,4-dinitrophenyl)benzenecarboximidamide | 2 - N'-(benzenesulfonyl)-N-(2,4-dinitrophenyl)benzenecarboximidamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off