2-[4-[(E)-[1-[(4-bromophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]-2,6-dichlorophenoxy]acetic acid
Formula:C19H13N2O5BrCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(E)-[1-[(4-bromophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]-2,6-dichlorophenoxy]acetic acid is not a drug-like molecule.
| MolName | 2-[4-[(E)-[1-[(4-bromophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]-2,6-dichlorophenoxy]acetic acid |
| MolecularFormula | C19H13N2O5BrCl2 |
| Smiles | OC(COc(c(Cl)cc(/C=C(\C(N1Cc(cc2)ccc2Br)=O)/NC1=O)c1)c1Cl)=O |
| InChI | InChI=1S/C19H13BrCl2N2O5/c20-12-3-1-10(2-4-12)8-24-18(27)15(23-19(24)28)7-11-5-13(21)17(14(22)6-11)29-9-16(25)26/h1-7H,8-9H2,(H,23,28)(H,25,26) |
| InChIK | LODRIURYMHCXHK-UHFFFAOYSA-N |
| TotalMolweight | 500.131 |
| Molweight | 500.131 |
| MonoisotopicMass | 497.938488 |
| CLogP | 3.5365 |
| CLogS | -5.796 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 312.58 |
| Relative PSA | 0.24707 |
| PolarSurfaceArea | 95.94 |
| Druglikeness | 3.251 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[4-[(E)-[1-[(4-bromophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]-2,6-dichlorophenoxy]acetic acid | 2 - 2-[4-[(E)-[1-[(4-bromophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]-2,6-dichlorophenoxy]acetic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off