[4-[(E)-3-phenylprop-2-enoyl]phenyl]urea
Formula:C16H14N2O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
[4-[(E)-3-phenylprop-2-enoyl]phenyl]urea is a drug-like molecule.
| MolName | [4-[(E)-3-phenylprop-2-enoyl]phenyl]urea |
| MolecularFormula | C16H14N2O2 |
| Smiles | NC(Nc(cc1)ccc1C(/C=C/c1ccccc1)=O)=O |
| InChI | InChI=1S/C16H14N2O2/c17-16(20)18-14-9-7-13(8-10-14)15(19)11-6-12-4-2-1-3-5-12/h1-11H,(H3,17,18,20) |
| InChIK | QWPKLCXCBMKBBD-UHFFFAOYSA-N |
| TotalMolweight | 266.299 |
| Molweight | 266.299 |
| MonoisotopicMass | 266.105528 |
| CLogP | 2.385 |
| CLogS | -4.445 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 215 |
| Relative PSA | 0.24563 |
| PolarSurfaceArea | 72.19 |
| Druglikeness | 1.8236 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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