(5Z)-5-[(2-chloro-5-nitrophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
Formula:C16H9N3O4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(2-chloro-5-nitrophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-5-[(2-chloro-5-nitrophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione |
| MolecularFormula | C16H9N3O4Cl2 |
| Smiles | [O-][N+](c(cc1)cc(/C=C(/C(N2c3cc(Cl)ccc3)=O)\NC2=O)c1Cl)=O |
| InChI | InChI=1S/C16H9Cl2N3O4/c17-10-2-1-3-11(8-10)20-15(22)14(19-16(20)23)7-9-6-12(21(24)25)4-5-13(9)18/h1-8H,(H,19,23) |
| InChIK | BJSFPMKUCGAEHR-UHFFFAOYSA-N |
| TotalMolweight | 378.17 |
| Molweight | 378.17 |
| MonoisotopicMass | 376.997011 |
| CLogP | 2.9068 |
| CLogS | -6.151 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 256 |
| Relative PSA | 0.27934 |
| PolarSurfaceArea | 95.23 |
| Druglikeness | -1.2488 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-5-[(2-chloro-5-nitrophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione | 2 - (5Z)-5-[(2-chloro-5-nitrophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off