2-chloro-5-[5-[(Z)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzoate
Formula:C21H11N2O5Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-chloro-5-[5-[(Z)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzoate is a drug-like molecule.
| MolName | 2-chloro-5-[5-[(Z)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzoate |
| MolecularFormula | C21H11N2O5Cl2 |
| Smiles | [O-]C(c(cc(cc1)-c2ccc(/C=C(/C(N3c(cc4)ccc4Cl)=O)\NC3=O)o2)c1Cl)=O |
| InChI | InChI=1S/C21H12Cl2N2O5/c22-12-2-4-13(5-3-12)25-19(26)17(24-21(25)29)10-14-6-8-18(30-14)11-1-7-16(23)15(9-11)20(27)28/h1-10H,(H,24,29)(H,27,28)/p-1 |
| InChIK | FDQRXRMWZWZIDZ-UHFFFAOYSA-M |
| TotalMolweight | 442.233 |
| Molweight | 442.233 |
| MonoisotopicMass | 441.004502 |
| CLogP | 2.1764 |
| CLogS | -7.164 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 307.06 |
| Relative PSA | 0.26874 |
| PolarSurfaceArea | 102.68 |
| Druglikeness | 4.8418 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-chloro-5-[5-[(Z)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzoate | 2 - 2-chloro-5-[5-[(Z)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off