1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[(4-chlorophenyl)methyl]urea
Formula:C16H14N2OCl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[(4-chlorophenyl)methyl]urea is a drug-like molecule.
| MolName | 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[(4-chlorophenyl)methyl]urea |
| MolecularFormula | C16H14N2OCl2 |
| Smiles | O=C(NCc(cc1)ccc1Cl)N/C=C/c(cccc1)c1Cl |
| InChI | InChI=1S/C16H14Cl2N2O/c17-14-7-5-12(6-8-14)11-20-16(21)19-10-9-13-3-1-2-4-15(13)18/h1-10H,11H2,(H2,19,20,21) |
| InChIK | MEXNBNHGPGJNGI-UHFFFAOYSA-N |
| TotalMolweight | 321.206 |
| Molweight | 321.206 |
| MonoisotopicMass | 320.048317 |
| CLogP | 3.7444 |
| CLogS | -5.447 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 244.79 |
| Relative PSA | 0.1469 |
| PolarSurfaceArea | 41.13 |
| Druglikeness | 1.1404 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[(4-chlorophenyl)methyl]urea | 2 - 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[(4-chlorophenyl)methyl]urea
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