(5Z)-3-[(Z)-(4-fluorophenyl)methylideneamino]-5-(furan-2-ylmethylidene)-2-phenylimidazol-4-one
Formula:C21H14N3O2F
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-[(Z)-(4-fluorophenyl)methylideneamino]-5-(furan-2-ylmethylidene)-2-phenylimidazol-4-one is a drug-like molecule.
| MolName | (5Z)-3-[(Z)-(4-fluorophenyl)methylideneamino]-5-(furan-2-ylmethylidene)-2-phenylimidazol-4-one |
| MolecularFormula | C21H14N3O2F |
| Smiles | O=C(/C(/N=C1c2ccccc2)=C/c2ccco2)N1/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C21H14FN3O2/c22-17-10-8-15(9-11-17)14-23-25-20(16-5-2-1-3-6-16)24-19(21(25)26)13-18-7-4-12-27-18/h1-14H |
| InChIK | HBHXXAFDCKRSOM-UHFFFAOYSA-N |
| TotalMolweight | 359.359 |
| Molweight | 359.359 |
| MonoisotopicMass | 359.107005 |
| CLogP | 3.6488 |
| CLogS | -5.374 |
| H Acceptors | 5 |
| TotalSurfaceArea | 275.81 |
| Relative PSA | 0.19477 |
| PolarSurfaceArea | 58.17 |
| Druglikeness | 3.1891 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5Z)-3-[(Z)-(4-fluorophenyl)methylideneamino]-5-(furan-2-ylmethylidene)-2-phenylimidazol-4-one | 2 - (5Z)-3-[(Z)-(4-fluorophenyl)methylideneamino]-5-(furan-2-ylmethylidene)-2-phenylimidazol-4-one
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