4-[(Z)-hydroxyiminomethyl]benzoic acid
Formula:C8H7NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-hydroxyiminomethyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(Z)-hydroxyiminomethyl]benzoic acid |
| MolecularFormula | C8H7NO3 |
| Smiles | OC(c1ccc(/C=N\O)cc1)=O |
| InChI | InChI=1S/C8H7NO3/c10-8(11)7-3-1-6(2-4-7)5-9-12/h1-5,12H,(H,10,11) |
| InChIK | UYCPLAQBBAOCGQ-UHFFFAOYSA-N |
| TotalMolweight | 165.148 |
| Molweight | 165.148 |
| MonoisotopicMass | 165.042594 |
| CLogP | 1.6994 |
| CLogS | -2.328 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 128.47 |
| Relative PSA | 0.39503 |
| PolarSurfaceArea | 69.89 |
| Druglikeness | -0.84158 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(Z)-hydroxyiminomethyl]benzoic acid | 2 - 4-[(Z)-hydroxyiminomethyl]benzoic acid
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