1-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione
Formula:C14H9N3O3Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
1-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | 1-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione |
| MolecularFormula | C14H9N3O3Cl2 |
| Smiles | O=C(CN1/N=C\c2ccc(-c(cc3)cc(Cl)c3Cl)o2)NC1=O |
| InChI | InChI=1S/C14H9Cl2N3O3/c15-10-3-1-8(5-11(10)16)12-4-2-9(22-12)6-17-19-7-13(20)18-14(19)21/h1-6H,7H2,(H,18,20,21) |
| InChIK | HIQONTNPQNNMST-UHFFFAOYSA-N |
| TotalMolweight | 338.149 |
| Molweight | 338.149 |
| MonoisotopicMass | 337.002096 |
| CLogP | 2.9462 |
| CLogS | -5.285 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 235.83 |
| Relative PSA | 0.28287 |
| PolarSurfaceArea | 74.91 |
| Druglikeness | 8.0499 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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1 - 1-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione | 2 - 1-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione
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