2-[4-[(E)-N-hydroxy-C-thiophen-2-ylcarbonimidoyl]naphthalen-1-yl]oxyacetic acid
Formula:C17H13NO4S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-[4-[(E)-N-hydroxy-C-thiophen-2-ylcarbonimidoyl]naphthalen-1-yl]oxyacetic acid is a drug-like molecule.
| MolName | 2-[4-[(E)-N-hydroxy-C-thiophen-2-ylcarbonimidoyl]naphthalen-1-yl]oxyacetic acid |
| MolecularFormula | C17H13NO4S |
| Smiles | OC(COc1ccc(/C(/c2cccs2)=N\O)c2ccccc12)=O |
| InChI | InChI=1S/C17H13NO4S/c19-16(20)10-22-14-8-7-13(11-4-1-2-5-12(11)14)17(18-21)15-6-3-9-23-15/h1-9,21H,10H2,(H,19,20) |
| InChIK | RCRJDIZMTNAQBE-UHFFFAOYSA-N |
| TotalMolweight | 327.359 |
| Molweight | 327.359 |
| MonoisotopicMass | 327.056529 |
| CLogP | 3.532 |
| CLogS | -5.5 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 240.74 |
| Relative PSA | 0.33692 |
| PolarSurfaceArea | 107.36 |
| Druglikeness | 1.9351 |
| 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 |
Click to Load Molecule:
1 - 2-[4-[(E)-N-hydroxy-C-thiophen-2-ylcarbonimidoyl]naphthalen-1-yl]oxyacetic acid | 2 - 2-[4-[(E)-N-hydroxy-C-thiophen-2-ylcarbonimidoyl]naphthalen-1-yl]oxyacetic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off