(5E)-3-(3-chlorophenyl)-5-[[4-[(3-nitrophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
Formula:C23H16N3O5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-(3-chlorophenyl)-5-[[4-[(3-nitrophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-3-(3-chlorophenyl)-5-[[4-[(3-nitrophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C23H16N3O5Cl |
| Smiles | [O-][N+](c1cccc(COc2ccc(/C=C(\C(N3c4cccc(Cl)c4)=O)/NC3=O)cc2)c1)=O |
| InChI | InChI=1S/C23H16ClN3O5/c24-17-4-2-5-18(13-17)26-22(28)21(25-23(26)29)12-15-7-9-20(10-8-15)32-14-16-3-1-6-19(11-16)27(30)31/h1-13H,14H2,(H,25,29) |
| InChIK | JOUPHCUWADCLIR-UHFFFAOYSA-N |
| TotalMolweight | 449.849 |
| Molweight | 449.849 |
| MonoisotopicMass | 449.077849 |
| CLogP | 3.6489 |
| CLogS | -6.756 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 324.1 |
| Relative PSA | 0.2515 |
| PolarSurfaceArea | 104.46 |
| Druglikeness | -1.3956 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5E)-3-(3-chlorophenyl)-5-[[4-[(3-nitrophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione | 2 - (5E)-3-(3-chlorophenyl)-5-[[4-[(3-nitrophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
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