(5Z)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione
Formula:C17H12N2O3BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione |
| MolecularFormula | C17H12N2O3BrCl |
| Smiles | Oc(ccc(/C=C(/C(N1Cc(cc2)ccc2Cl)=O)\NC1=O)c1)c1Br |
| InChI | InChI=1S/C17H12BrClN2O3/c18-13-7-11(3-6-15(13)22)8-14-16(23)21(17(24)20-14)9-10-1-4-12(19)5-2-10/h1-8,22H,9H2,(H,20,24) |
| InChIK | GEWHKGALUHMSPG-UHFFFAOYSA-N |
| TotalMolweight | 407.65 |
| Molweight | 407.65 |
| MonoisotopicMass | 405.971981 |
| CLogP | 3.5248 |
| CLogS | -4.971 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 255.65 |
| Relative PSA | 0.21197 |
| PolarSurfaceArea | 69.64 |
| Druglikeness | 3.1189 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - (5Z)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione | 2 - (5Z)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione
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