[[(E)-3-phenylprop-2-enoyl]amino]urea
Formula:C10H11N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[[(E)-3-phenylprop-2-enoyl]amino]urea is a drug-like molecule.
| MolName | [[(E)-3-phenylprop-2-enoyl]amino]urea |
| MolecularFormula | C10H11N3O2 |
| Smiles | NC(NNC(/C=C/c1ccccc1)=O)=O |
| InChI | InChI=1S/C10H11N3O2/c11-10(15)13-12-9(14)7-6-8-4-2-1-3-5-8/h1-7H,(H,12,14)(H3,11,13,15) |
| InChIK | MEXKSXLRARMOSF-UHFFFAOYSA-N |
| TotalMolweight | 205.216 |
| Molweight | 205.216 |
| MonoisotopicMass | 205.085127 |
| CLogP | -0.1195 |
| CLogS | -2.773 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 166.7 |
| Relative PSA | 0.38554 |
| PolarSurfaceArea | 84.22 |
| Druglikeness | 1.4255 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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