4-[5-[(Z)-[1-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzonitrile
Formula:C22H14N3O3F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-[5-[(Z)-[1-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzonitrile is a drug-like molecule.
| MolName | 4-[5-[(Z)-[1-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzonitrile |
| MolecularFormula | C22H14N3O3F |
| Smiles | N#Cc(cc1)ccc1-c1ccc(/C=C(/C(N2Cc(cc3)ccc3F)=O)\NC2=O)o1 |
| InChI | InChI=1S/C22H14FN3O3/c23-17-7-3-15(4-8-17)13-26-21(27)19(25-22(26)28)11-18-9-10-20(29-18)16-5-1-14(12-24)2-6-16/h1-11H,13H2,(H,25,28) |
| InChIK | KBBAKUNPOSDVAD-UHFFFAOYSA-N |
| TotalMolweight | 387.369 |
| Molweight | 387.369 |
| MonoisotopicMass | 387.10192 |
| CLogP | 3.4146 |
| CLogS | -6.244 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 292.76 |
| Relative PSA | 0.23487 |
| PolarSurfaceArea | 86.34 |
| Druglikeness | 0.066598 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - 4-[5-[(Z)-[1-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzonitrile | 2 - 4-[5-[(Z)-[1-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzonitrile
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off