4-arsoroso-2-nitrobenzoic acid
Formula:C7H4NO5As
Mutagenic:low
Tumorigenic:low
Reproductive Effective:low
4-arsoroso-2-nitrobenzoic acid is a drug-like molecule.
| MolName | 4-arsoroso-2-nitrobenzoic acid |
| MolecularFormula | C7H4NO5As |
| Smiles | [O-][N+](c(cc(cc1)[As]=O)c1C(O)=O)=O |
| InChI | InChI=1S/C7H4AsNO5/c10-7(11)5-2-1-4(8-12)3-6(5)9(13)14/h1-3H,(H,10,11) |
| InChIK | FIRHZBPIMZIEIB-UHFFFAOYSA-N |
| TotalMolweight | 257.033 |
| Molweight | 257.033 |
| MonoisotopicMass | 256.930543 |
| CLogP | 0.2782 |
| CLogS | -1.908 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 127.32 |
| Relative PSA | 0.54665 |
| PolarSurfaceArea | 100.19 |
| Druglikeness | -6.6451 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | aromatic nitro; unwanted atom |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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