4-[5-[(E)-N-hydroxy-C-phenylcarbonimidoyl]thiophen-2-yl]butanoic acid
Formula:C15H15NO3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[5-[(E)-N-hydroxy-C-phenylcarbonimidoyl]thiophen-2-yl]butanoic acid is a drug-like molecule.
| MolName | 4-[5-[(E)-N-hydroxy-C-phenylcarbonimidoyl]thiophen-2-yl]butanoic acid |
| MolecularFormula | C15H15NO3S |
| Smiles | OC(CCCc1ccc(/C(/c2ccccc2)=N/O)s1)=O |
| InChI | InChI=1S/C15H15NO3S/c17-14(18)8-4-7-12-9-10-13(20-12)15(16-19)11-5-2-1-3-6-11/h1-3,5-6,9-10,19H,4,7-8H2,(H,17,18) |
| InChIK | BSXSBZSRBSNNCI-UHFFFAOYSA-N |
| TotalMolweight | 289.354 |
| Molweight | 289.354 |
| MonoisotopicMass | 289.077264 |
| CLogP | 3.7518 |
| CLogS | -4.729 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 223.66 |
| Relative PSA | 0.31794 |
| PolarSurfaceArea | 98.13 |
| Druglikeness | -3.2459 |
| 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 | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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