[(Z)-1-phenylpent-4-enylideneamino]urea
Formula:C12H15N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-1-phenylpent-4-enylideneamino]urea is a drug-like molecule.
| MolName | [(Z)-1-phenylpent-4-enylideneamino]urea |
| MolecularFormula | C12H15N3O |
| Smiles | C=CCC/C(/c1ccccc1)=N/NC(N)=O |
| InChI | InChI=1S/C12H15N3O/c1-2-3-9-11(14-15-12(13)16)10-7-5-4-6-8-10/h2,4-8H,1,3,9H2,(H3,13,15,16) |
| InChIK | LWWUTAUGDVQMRQ-UHFFFAOYSA-N |
| TotalMolweight | 217.271 |
| Molweight | 217.271 |
| MonoisotopicMass | 217.121512 |
| CLogP | 2.2509 |
| CLogS | -3.923 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 186.02 |
| Relative PSA | 0.27567 |
| PolarSurfaceArea | 67.48 |
| Druglikeness | -2.1471 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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