4-[5-[(Z)-hydroxyiminomethyl]thiophen-2-yl]butanoate
Formula:C9H10NO3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[5-[(Z)-hydroxyiminomethyl]thiophen-2-yl]butanoate is a drug-like molecule.
| MolName | 4-[5-[(Z)-hydroxyiminomethyl]thiophen-2-yl]butanoate |
| MolecularFormula | C9H10NO3S |
| Smiles | [O-]C(CCCc1ccc(/C=N\O)s1)=O |
| InChI | InChI=1S/C9H11NO3S/c11-9(12)3-1-2-7-4-5-8(14-7)6-10-13/h4-6,13H,1-3H2,(H,11,12)/p-1 |
| InChIK | OCAUUNNQCUCBSM-UHFFFAOYSA-M |
| TotalMolweight | 212.248 |
| Molweight | 212.248 |
| MonoisotopicMass | 212.038139 |
| CLogP | 0.4791 |
| CLogS | -2.953 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 166.87 |
| Relative PSA | 0.43321 |
| PolarSurfaceArea | 100.96 |
| Druglikeness | -2.6572 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.78571 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 5 |
| AcidicOxygens | 1 |
| StereoCon |
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