[2-[(Z)-morpholin-4-yliminomethyl]-1-benzothiophen-3-yl] benzoate
Formula:C20H18N2O3S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
[2-[(Z)-morpholin-4-yliminomethyl]-1-benzothiophen-3-yl] benzoate is a drug-like molecule.
| MolName | [2-[(Z)-morpholin-4-yliminomethyl]-1-benzothiophen-3-yl] benzoate |
| MolecularFormula | C20H18N2O3S |
| Smiles | O=C(c1ccccc1)Oc1c(/C=N\N2CCOCC2)sc2c1cccc2 |
| InChI | InChI=1S/C20H18N2O3S/c23-20(15-6-2-1-3-7-15)25-19-16-8-4-5-9-17(16)26-18(19)14-21-22-10-12-24-13-11-22/h1-9,14H,10-13H2 |
| InChIK | FKLOVCCWCPQQLD-UHFFFAOYSA-N |
| TotalMolweight | 366.44 |
| Molweight | 366.44 |
| MonoisotopicMass | 366.103813 |
| CLogP | 3.8432 |
| CLogS | -4.65 |
| H Acceptors | 5 |
| TotalSurfaceArea | 277.91 |
| Relative PSA | 0.24634 |
| PolarSurfaceArea | 79.37 |
| Druglikeness | 3.5365 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| StereoCon |
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