4-[(2E)-2-amino-2-hydroxyiminoethoxy]benzoic acid
Formula:C9H10N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2E)-2-amino-2-hydroxyiminoethoxy]benzoic acid is a drug-like molecule.
| MolName | 4-[(2E)-2-amino-2-hydroxyiminoethoxy]benzoic acid |
| MolecularFormula | C9H10N2O4 |
| Smiles | N/C(/COc(cc1)ccc1C(O)=O)=N/O |
| InChI | InChI=1S/C9H10N2O4/c10-8(11-14)5-15-7-3-1-6(2-4-7)9(12)13/h1-4,14H,5H2,(H2,10,11)(H,12,13) |
| InChIK | VTAONEGQLFSALQ-UHFFFAOYSA-N |
| TotalMolweight | 210.188 |
| Molweight | 210.188 |
| MonoisotopicMass | 210.064058 |
| CLogP | 0.4283 |
| CLogS | -1.873 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 158.96 |
| Relative PSA | 0.47823 |
| PolarSurfaceArea | 105.14 |
| Druglikeness | -1.3032 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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