1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(E)-2-phenylethenyl]urea
Formula:C16H12N2OClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(E)-2-phenylethenyl]urea is a drug-like molecule.
| MolName | 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(E)-2-phenylethenyl]urea |
| MolecularFormula | C16H12N2OClF3 |
| Smiles | O=C(N/C=C/c1ccccc1)Nc(cc(C(F)(F)F)cc1)c1Cl |
| InChI | InChI=1S/C16H12ClF3N2O/c17-13-7-6-12(16(18,19)20)10-14(13)22-15(23)21-9-8-11-4-2-1-3-5-11/h1-10H,(H2,21,22,23) |
| InChIK | BFPZNOBWLXJSFX-UHFFFAOYSA-N |
| TotalMolweight | 340.731 |
| Molweight | 340.731 |
| MonoisotopicMass | 340.059024 |
| CLogP | 4.2773 |
| CLogS | -5.673 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 245.07 |
| Relative PSA | 0.14673 |
| PolarSurfaceArea | 41.13 |
| Druglikeness | -6.9125 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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