(5E)-3-[(4-bromophenyl)methyl]-5-[(3-chloro-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
Formula:C17H12N2O3BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-[(4-bromophenyl)methyl]-5-[(3-chloro-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-3-[(4-bromophenyl)methyl]-5-[(3-chloro-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C17H12N2O3BrCl |
| Smiles | Oc(ccc(/C=C(\C(N1Cc(cc2)ccc2Br)=O)/NC1=O)c1)c1Cl |
| InChI | InChI=1S/C17H12BrClN2O3/c18-12-4-1-10(2-5-12)9-21-16(23)14(20-17(21)24)8-11-3-6-15(22)13(19)7-11/h1-8,22H,9H2,(H,20,24) |
| InChIK | RKAKFSADZHVNRS-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 - (5E)-3-[(4-bromophenyl)methyl]-5-[(3-chloro-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione | 2 - (5E)-3-[(4-bromophenyl)methyl]-5-[(3-chloro-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
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