(5Z)-5-benzylidene-3-(4-fluorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]imidazol-4-one
Formula:C23H16N3O3FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-benzylidene-3-(4-fluorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]imidazol-4-one is a drug-like molecule.
| MolName | (5Z)-5-benzylidene-3-(4-fluorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]imidazol-4-one |
| MolecularFormula | C23H16N3O3FS |
| Smiles | [O-][N+](c1ccc(CSC(N(C2=O)c(cc3)ccc3F)=N/C2=C\c2ccccc2)cc1)=O |
| InChI | InChI=1S/C23H16FN3O3S/c24-18-8-12-19(13-9-18)26-22(28)21(14-16-4-2-1-3-5-16)25-23(26)31-15-17-6-10-20(11-7-17)27(29)30/h1-14H,15H2 |
| InChIK | XZOXPZZDJOHUGV-UHFFFAOYSA-N |
| TotalMolweight | 433.462 |
| Molweight | 433.462 |
| MonoisotopicMass | 433.08964 |
| CLogP | 3.8371 |
| CLogS | -7.259 |
| H Acceptors | 6 |
| TotalSurfaceArea | 316.28 |
| Relative PSA | 0.24033 |
| PolarSurfaceArea | 103.79 |
| Druglikeness | -3.0258 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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