[(Z)-3,4-dihydro-2H-pyran-2-ylmethylideneamino]urea
Formula:C7H11N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-3,4-dihydro-2H-pyran-2-ylmethylideneamino]urea is a drug-like molecule.
| MolName | [(Z)-3,4-dihydro-2H-pyran-2-ylmethylideneamino]urea |
| MolecularFormula | C7H11N3O2 |
| Smiles | NC(N/N=C\C1OC=CCC1)=O |
| InChI | InChI=1S/C7H11N3O2/c8-7(11)10-9-5-6-3-1-2-4-12-6/h2,4-6H,1,3H2,(H3,8,10,11)/t6-/m0/s1 |
| InChIK | ALPRGEDFRAVTPU-LURJTMIESA-N |
| TotalMolweight | 169.183 |
| Molweight | 169.183 |
| MonoisotopicMass | 169.085127 |
| CLogP | -0.6514 |
| CLogS | -2.445 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 139.01 |
| Relative PSA | 0.44083 |
| PolarSurfaceArea | 76.71 |
| Druglikeness | 2.0989 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
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