2-[4-[(E)-C-(furan-3-yl)-N-hydroxycarbonimidoyl]naphthalen-1-yl]oxyacetic acid
Formula:C17H13NO5
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-[4-[(E)-C-(furan-3-yl)-N-hydroxycarbonimidoyl]naphthalen-1-yl]oxyacetic acid is a drug-like molecule.
| MolName | 2-[4-[(E)-C-(furan-3-yl)-N-hydroxycarbonimidoyl]naphthalen-1-yl]oxyacetic acid |
| MolecularFormula | C17H13NO5 |
| Smiles | OC(COc1ccc(/C(/c2cocc2)=N\O)c2ccccc12)=O |
| InChI | InChI=1S/C17H13NO5/c19-16(20)10-23-15-6-5-14(12-3-1-2-4-13(12)15)17(18-21)11-7-8-22-9-11/h1-9,21H,10H2,(H,19,20) |
| InChIK | RKESOEFCSRLHBP-UHFFFAOYSA-N |
| TotalMolweight | 311.292 |
| Molweight | 311.292 |
| MonoisotopicMass | 311.079374 |
| CLogP | 2.8001 |
| CLogS | -5.148 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 234.49 |
| Relative PSA | 0.31925 |
| PolarSurfaceArea | 92.26 |
| Druglikeness | -0.10442 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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