[(E)-2-bicyclo[3.2.1]octanylideneamino]urea
Formula:C9H15N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-2-bicyclo[3.2.1]octanylideneamino]urea is a drug-like molecule.
| MolName | [(E)-2-bicyclo[3.2.1]octanylideneamino]urea |
| MolecularFormula | C9H15N3O |
| Smiles | NC(N/N=C1/C(CC2)CC2CC1)=O |
| InChI | InChI=1S/C9H15N3O/c10-9(13)12-11-8-4-2-6-1-3-7(8)5-6/h6-7H,1-5H2,(H3,10,12,13) |
| InChIK | LOAQUVKRICGLSQ-UHFFFAOYSA-N |
| TotalMolweight | 181.238 |
| Molweight | 181.238 |
| MonoisotopicMass | 181.121512 |
| CLogP | 1.1314 |
| CLogS | -3.082 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 141 |
| Relative PSA | 0.36369 |
| PolarSurfaceArea | 67.48 |
| Druglikeness | 2.4877 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 2 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 3 |
| Sp3Atoms | 7 |
| Amides | 1 |
| StereoCon | unknown chirality |
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1 - [(E)-2-bicyclo[3.2.1]octanylideneamino]urea | 2 - [(E)-2-bicyclo[3.2.1]octanylideneamino]urea
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