[4-[(Z)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenyl] 4-fluorobenzoate
Formula:C17H11N2O3FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
[4-[(Z)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenyl] 4-fluorobenzoate is a drug-like molecule.
| MolName | [4-[(Z)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenyl] 4-fluorobenzoate |
| MolecularFormula | C17H11N2O3FS |
| Smiles | O=C(c(cc1)ccc1F)Oc1ccc(/C=C(/C(N2)=O)\NC2=S)cc1 |
| InChI | InChI=1S/C17H11FN2O3S/c18-12-5-3-11(4-6-12)16(22)23-13-7-1-10(2-8-13)9-14-15(21)20-17(24)19-14/h1-9H,(H2,19,20,21,24) |
| InChIK | MPNOFDFKLOZHMX-UHFFFAOYSA-N |
| TotalMolweight | 342.349 |
| Molweight | 342.349 |
| MonoisotopicMass | 342.047441 |
| CLogP | 2.7601 |
| CLogS | -4.604 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 251.71 |
| Relative PSA | 0.34564 |
| PolarSurfaceArea | 99.52 |
| Druglikeness | 0.76403 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenyl] 4-fluorobenzoate | 2 - [4-[(Z)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenyl] 4-fluorobenzoate
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