1-(4-chlorophenyl)-3-[(E)-2-(4-chlorophenyl)ethenyl]urea
Formula:C15H12N2OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(4-chlorophenyl)-3-[(E)-2-(4-chlorophenyl)ethenyl]urea is a drug-like molecule.
| MolName | 1-(4-chlorophenyl)-3-[(E)-2-(4-chlorophenyl)ethenyl]urea |
| MolecularFormula | C15H12N2OCl2 |
| Smiles | O=C(N/C=C/c(cc1)ccc1Cl)Nc(cc1)ccc1Cl |
| InChI | InChI=1S/C15H12Cl2N2O/c16-12-3-1-11(2-4-12)9-10-18-15(20)19-14-7-5-13(17)6-8-14/h1-10H,(H2,18,19,20) |
| InChIK | KMMXTNMIRZGFDN-UHFFFAOYSA-N |
| TotalMolweight | 307.179 |
| Molweight | 307.179 |
| MonoisotopicMass | 306.032667 |
| CLogP | 4.035 |
| CLogS | -5.631 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 231.03 |
| Relative PSA | 0.15565 |
| PolarSurfaceArea | 41.13 |
| Druglikeness | 0.2775 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - 1-(4-chlorophenyl)-3-[(E)-2-(4-chlorophenyl)ethenyl]urea | 2 - 1-(4-chlorophenyl)-3-[(E)-2-(4-chlorophenyl)ethenyl]urea
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