1-(4-chlorophenyl)-3-[(E)-2-(3,4-dichlorophenyl)ethenyl]urea
Formula:C15H11N2OCl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(4-chlorophenyl)-3-[(E)-2-(3,4-dichlorophenyl)ethenyl]urea is a drug-like molecule.
| MolName | 1-(4-chlorophenyl)-3-[(E)-2-(3,4-dichlorophenyl)ethenyl]urea |
| MolecularFormula | C15H11N2OCl3 |
| Smiles | O=C(N/C=C/c(cc1)cc(Cl)c1Cl)Nc(cc1)ccc1Cl |
| InChI | InChI=1S/C15H11Cl3N2O/c16-11-2-4-12(5-3-11)20-15(21)19-8-7-10-1-6-13(17)14(18)9-10/h1-9H,(H2,19,20,21) |
| InChIK | PKIXWCPYCURPTH-UHFFFAOYSA-N |
| TotalMolweight | 341.624 |
| Molweight | 341.624 |
| MonoisotopicMass | 339.993694 |
| CLogP | 4.641 |
| CLogS | -6.367 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 246.45 |
| Relative PSA | 0.14591 |
| PolarSurfaceArea | 41.13 |
| Druglikeness | 0.2775 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - 1-(4-chlorophenyl)-3-[(E)-2-(3,4-dichlorophenyl)ethenyl]urea | 2 - 1-(4-chlorophenyl)-3-[(E)-2-(3,4-dichlorophenyl)ethenyl]urea
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