4-azidosulfonylbenzoic acid
Formula:C7H5N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-azidosulfonylbenzoic acid is a drug-like molecule.
| MolName | 4-azidosulfonylbenzoic acid |
| MolecularFormula | C7H5N3O4S |
| Smiles | [N-]=[N+]=NS(c(cc1)ccc1C(O)=O)(=O)=O |
| InChI | InChI=1S/C7H5N3O4S/c8-9-10-15(13,14)6-3-1-5(2-4-6)7(11)12/h1-4H,(H,11,12) |
| InChIK | OWULJVXJAZBQLL-UHFFFAOYSA-N |
| TotalMolweight | 227.2 |
| Molweight | 227.2 |
| MonoisotopicMass | 227.000077 |
| CLogP | 0.2062 |
| CLogS | -0.625 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 156.58 |
| Relative PSA | 0.58826 |
| PolarSurfaceArea | 105.78 |
| Druglikeness | -0.44963 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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