1-(3-chlorophenyl)-3-[(E)-2-[(3-chlorophenyl)carbamoylamino]ethenyl]urea
Formula:C16H14N4O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(3-chlorophenyl)-3-[(E)-2-[(3-chlorophenyl)carbamoylamino]ethenyl]urea is a drug-like molecule.
| MolName | 1-(3-chlorophenyl)-3-[(E)-2-[(3-chlorophenyl)carbamoylamino]ethenyl]urea |
| MolecularFormula | C16H14N4O2Cl2 |
| Smiles | O=C(N/C=C/NC(Nc1cccc(Cl)c1)=O)Nc1cc(Cl)ccc1 |
| InChI | InChI=1S/C16H14Cl2N4O2/c17-11-3-1-5-13(9-11)21-15(23)19-7-8-20-16(24)22-14-6-2-4-12(18)10-14/h1-10H,(H2,19,21,23)(H2,20,22,24) |
| InChIK | XHQGMRCQARRHLQ-UHFFFAOYSA-N |
| TotalMolweight | 365.219 |
| Molweight | 365.219 |
| MonoisotopicMass | 364.04938 |
| CLogP | 2.9914 |
| CLogS | -6.038 |
| H Acceptors | 6 |
| H Donors | 4 |
| TotalSurfaceArea | 271.7 |
| Relative PSA | 0.2647 |
| PolarSurfaceArea | 82.26 |
| Druglikeness | 0.16565 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 12 |
| Amides | 4 |
| StereoCon |
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