5-[(E)-hydroxyiminomethyl]-2-phenylmethoxybenzoic acid
Formula:C15H13NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-[(E)-hydroxyiminomethyl]-2-phenylmethoxybenzoic acid is a drug-like molecule.
| MolName | 5-[(E)-hydroxyiminomethyl]-2-phenylmethoxybenzoic acid |
| MolecularFormula | C15H13NO4 |
| Smiles | OC(c(cc(/C=N/O)cc1)c1OCc1ccccc1)=O |
| InChI | InChI=1S/C15H13NO4/c17-15(18)13-8-12(9-16-19)6-7-14(13)20-10-11-4-2-1-3-5-11/h1-9,19H,10H2,(H,17,18) |
| InChIK | BSLSASRXEZEIAB-UHFFFAOYSA-N |
| TotalMolweight | 271.271 |
| Molweight | 271.271 |
| MonoisotopicMass | 271.084459 |
| CLogP | 3.0475 |
| CLogS | -3.669 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 211.99 |
| Relative PSA | 0.28657 |
| PolarSurfaceArea | 79.12 |
| Druglikeness | -0.97183 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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