(3Z)-1-(3-chlorothiophen-2-yl)-3-phenylmethoxyiminopropan-1-one
Formula:C14H12NO2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-1-(3-chlorothiophen-2-yl)-3-phenylmethoxyiminopropan-1-one is a drug-like molecule.
| MolName | (3Z)-1-(3-chlorothiophen-2-yl)-3-phenylmethoxyiminopropan-1-one |
| MolecularFormula | C14H12NO2ClS |
| Smiles | O=C(C/C=N\OCc1ccccc1)c(scc1)c1Cl |
| InChI | InChI=1S/C14H12ClNO2S/c15-12-7-9-19-14(12)13(17)6-8-16-18-10-11-4-2-1-3-5-11/h1-5,7-9H,6,10H2 |
| InChIK | QYSWGDKPPBOTTI-UHFFFAOYSA-N |
| TotalMolweight | 293.773 |
| Molweight | 293.773 |
| MonoisotopicMass | 293.027726 |
| CLogP | 3.5616 |
| CLogS | -4.726 |
| H Acceptors | 3 |
| TotalSurfaceArea | 224.41 |
| Relative PSA | 0.24469 |
| PolarSurfaceArea | 66.9 |
| Druglikeness | 2.7916 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 3-halo-enone |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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