(5Z)-5-[(2-chlorophenyl)methylidene]-3-(2,6-dichloro-4-nitrophenyl)-2-phenylimidazolidin-4-one
Formula:C22H14N3O3Cl3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(5Z)-5-[(2-chlorophenyl)methylidene]-3-(2,6-dichloro-4-nitrophenyl)-2-phenylimidazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(2-chlorophenyl)methylidene]-3-(2,6-dichloro-4-nitrophenyl)-2-phenylimidazolidin-4-one |
| MolecularFormula | C22H14N3O3Cl3 |
| Smiles | [O-][N+](c(cc1Cl)cc(Cl)c1N(C(c1ccccc1)N/C1=C\c(cccc2)c2Cl)C1=O)=O |
| InChI | InChI=1S/C22H14Cl3N3O3/c23-16-9-5-4-8-14(16)10-19-22(29)27(21(26-19)13-6-2-1-3-7-13)20-17(24)11-15(28(30)31)12-18(20)25/h1-12,21,26H/t21-/m0/s1 |
| InChIK | CIKRJJOHJFIPLP-NRFANRHFSA-N |
| TotalMolweight | 474.73 |
| Molweight | 474.73 |
| MonoisotopicMass | 473.010073 |
| CLogP | 2.7272 |
| CLogS | -7.422 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 325.93 |
| Relative PSA | 0.17939 |
| PolarSurfaceArea | 78.16 |
| Druglikeness | -1.9336 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.45161 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amides | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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1 - (5Z)-5-[(2-chlorophenyl)methylidene]-3-(2,6-dichloro-4-nitrophenyl)-2-phenylimidazolidin-4-one | 2 - (5Z)-5-[(2-chlorophenyl)methylidene]-3-(2,6-dichloro-4-nitrophenyl)-2-phenylimidazolidin-4-one
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