[(E)-2,3-dihydropyrrolizin-1-ylideneamino]urea
Formula:C8H10N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-2,3-dihydropyrrolizin-1-ylideneamino]urea is a drug-like molecule.
| MolName | [(E)-2,3-dihydropyrrolizin-1-ylideneamino]urea |
| MolecularFormula | C8H10N4O |
| Smiles | NC(N/N=C1/c2cccn2CC1)=O |
| InChI | InChI=1S/C8H10N4O/c9-8(13)11-10-6-3-5-12-4-1-2-7(6)12/h1-2,4H,3,5H2,(H3,9,11,13) |
| InChIK | BVOLUTNLKJMNSA-UHFFFAOYSA-N |
| TotalMolweight | 178.194 |
| Molweight | 178.194 |
| MonoisotopicMass | 178.085461 |
| CLogP | 0.7737 |
| CLogS | -1.706 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 137.18 |
| Relative PSA | 0.4239 |
| PolarSurfaceArea | 72.41 |
| Druglikeness | 5.79 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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