(5Z)-5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-3-phenylimidazolidine-2,4-dione
Formula:C20H12N3O5Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5Z)-5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-3-phenylimidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-3-phenylimidazolidine-2,4-dione |
| MolecularFormula | C20H12N3O5Cl |
| Smiles | [O-][N+](c(cc(cc1)-c2ccc(/C=C(/C(N3c4ccccc4)=O)\NC3=O)o2)c1Cl)=O |
| InChI | InChI=1S/C20H12ClN3O5/c21-15-8-6-12(10-17(15)24(27)28)18-9-7-14(29-18)11-16-19(25)23(20(26)22-16)13-4-2-1-3-5-13/h1-11H,(H,22,26) |
| InChIK | NWGMWDLBDNVMEO-UHFFFAOYSA-N |
| TotalMolweight | 409.784 |
| Molweight | 409.784 |
| MonoisotopicMass | 409.046549 |
| CLogP | 3.2397 |
| CLogS | -6.875 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 290.03 |
| Relative PSA | 0.29521 |
| PolarSurfaceArea | 108.37 |
| Druglikeness | -0.2989 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5Z)-5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-3-phenylimidazolidine-2,4-dione | 2 - (5Z)-5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-3-phenylimidazolidine-2,4-dione
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