1-[(2,6-dichlorophenyl)methoxy]-1-[(Z)-(2,6-dichlorophenyl)methoxyiminomethyl]-3-phenylurea
Formula:C22H17N3O3Cl4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
1-[(2,6-dichlorophenyl)methoxy]-1-[(Z)-(2,6-dichlorophenyl)methoxyiminomethyl]-3-phenylurea is not a drug-like molecule.
| MolName | 1-[(2,6-dichlorophenyl)methoxy]-1-[(Z)-(2,6-dichlorophenyl)methoxyiminomethyl]-3-phenylurea |
| MolecularFormula | C22H17N3O3Cl4 |
| Smiles | O=C(Nc1ccccc1)N(/C=N\OCc(c(Cl)ccc1)c1Cl)OCc(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C22H17Cl4N3O3/c23-18-8-4-9-19(24)16(18)12-31-27-14-29(22(30)28-15-6-2-1-3-7-15)32-13-17-20(25)10-5-11-21(17)26/h1-11,14H,12-13H2,(H,28,30) |
| InChIK | RYOGREXWQSSOHU-UHFFFAOYSA-N |
| TotalMolweight | 513.207 |
| Molweight | 513.207 |
| MonoisotopicMass | 511.0024 |
| CLogP | 6.6353 |
| CLogS | -8.339 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 366.25 |
| Relative PSA | 0.16262 |
| PolarSurfaceArea | 63.16 |
| Druglikeness | 2.0225 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 1-[(2,6-dichlorophenyl)methoxy]-1-[(Z)-(2,6-dichlorophenyl)methoxyiminomethyl]-3-phenylurea | 2 - 1-[(2,6-dichlorophenyl)methoxy]-1-[(Z)-(2,6-dichlorophenyl)methoxyiminomethyl]-3-phenylurea
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off