2-[5-[(E)-N-hydroxy-C-phenylcarbonimidoyl]thiophen-2-yl]acetate
Formula:C13H10NO3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[5-[(E)-N-hydroxy-C-phenylcarbonimidoyl]thiophen-2-yl]acetate is a drug-like molecule.
| MolName | 2-[5-[(E)-N-hydroxy-C-phenylcarbonimidoyl]thiophen-2-yl]acetate |
| MolecularFormula | C13H10NO3S |
| Smiles | [O-]C(Cc1ccc(/C(/c2ccccc2)=N/O)s1)=O |
| InChI | InChI=1S/C13H11NO3S/c15-12(16)8-10-6-7-11(18-10)13(14-17)9-4-2-1-3-5-9/h1-7,17H,8H2,(H,15,16)/p-1 |
| InChIK | ABOQOKLVSWHURM-UHFFFAOYSA-M |
| TotalMolweight | 260.292 |
| Molweight | 260.292 |
| MonoisotopicMass | 260.038139 |
| CLogP | 0.767 |
| CLogS | -4.189 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 197.32 |
| Relative PSA | 0.36636 |
| PolarSurfaceArea | 100.96 |
| Druglikeness | 1.4894 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[5-[(E)-N-hydroxy-C-phenylcarbonimidoyl]thiophen-2-yl]acetate | 2 - 2-[5-[(E)-N-hydroxy-C-phenylcarbonimidoyl]thiophen-2-yl]acetate
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