[(Z)-[4-(2-phenoxyethoxy)phenyl]methylideneamino]urea
Formula:C16H17N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[4-(2-phenoxyethoxy)phenyl]methylideneamino]urea is a drug-like molecule.
| MolName | [(Z)-[4-(2-phenoxyethoxy)phenyl]methylideneamino]urea |
| MolecularFormula | C16H17N3O3 |
| Smiles | NC(N/N=C\c(cc1)ccc1OCCOc1ccccc1)=O |
| InChI | InChI=1S/C16H17N3O3/c17-16(20)19-18-12-13-6-8-15(9-7-13)22-11-10-21-14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H3,17,19,20) |
| InChIK | DLLAYJVSFHVKHE-UHFFFAOYSA-N |
| TotalMolweight | 299.329 |
| Molweight | 299.329 |
| MonoisotopicMass | 299.126992 |
| CLogP | 2.4903 |
| CLogS | -4.082 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 243.03 |
| Relative PSA | 0.2933 |
| PolarSurfaceArea | 85.94 |
| Druglikeness | -2.9894 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.77273 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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