2-(benzenesulfonyl)-1-(dihydroxyamino)guanidine
Formula:C7H10N4O4S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
2-(benzenesulfonyl)-1-(dihydroxyamino)guanidine is a drug-like molecule.
| MolName | 2-(benzenesulfonyl)-1-(dihydroxyamino)guanidine |
| MolecularFormula | C7H10N4O4S |
| Smiles | N/C(/NN(O)O)=N/S(c1ccccc1)(=O)=O |
| InChI | InChI=1S/C7H10N4O4S/c8-7(9-11(12)13)10-16(14,15)6-4-2-1-3-5-6/h1-5,12-13H,(H3,8,9,10) |
| InChIK | VMYHTJXELWPIJO-UHFFFAOYSA-N |
| TotalMolweight | 246.246 |
| Molweight | 246.246 |
| MonoisotopicMass | 246.042276 |
| CLogP | -0.4119 |
| CLogS | -2.073 |
| H Acceptors | 8 |
| H Donors | 4 |
| TotalSurfaceArea | 167.79 |
| Relative PSA | 0.57554 |
| PolarSurfaceArea | 136.63 |
| Druglikeness | -6.0148 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-(benzenesulfonyl)-1-(dihydroxyamino)guanidine | 2 - 2-(benzenesulfonyl)-1-(dihydroxyamino)guanidine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off