2-[5-[(Z)-hydroxyiminomethyl]furan-2-yl]benzoic acid
Formula:C12H9NO4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2-[5-[(Z)-hydroxyiminomethyl]furan-2-yl]benzoic acid is a drug-like molecule.
| MolName | 2-[5-[(Z)-hydroxyiminomethyl]furan-2-yl]benzoic acid |
| MolecularFormula | C12H9NO4 |
| Smiles | OC(c(cccc1)c1-c1ccc(/C=N\O)o1)=O |
| InChI | InChI=1S/C12H9NO4/c14-12(15)10-4-2-1-3-9(10)11-6-5-8(17-11)7-13-16/h1-7,16H,(H,14,15) |
| InChIK | UKZIGUUVVNEBFL-UHFFFAOYSA-N |
| TotalMolweight | 231.206 |
| Molweight | 231.206 |
| MonoisotopicMass | 231.053159 |
| CLogP | 2.6383 |
| CLogS | -3.788 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 177.92 |
| Relative PSA | 0.36455 |
| PolarSurfaceArea | 83.03 |
| Druglikeness | 1.7549 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[5-[(Z)-hydroxyiminomethyl]furan-2-yl]benzoic acid | 2 - 2-[5-[(Z)-hydroxyiminomethyl]furan-2-yl]benzoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off