| MolName | (NZ)-N-(5a,6,7,8-tetrahydro-5H-pyren-4-ylidene)hydroxylamine |
| MolecularFormula | C16H15NO |
| Smiles | O/N=C(/CC1CCC2)\c3cccc4ccc2c1c34 |
| InChI | InChI=1S/C16H15NO/c18-17-14-9-12-5-1-3-10-7-8-11-4-2-6-13(14)16(11)15(10)12/h2,4,6-8,12,18H,1,3,5,9H2/t12-/m1/s1 |
| InChIK | DPFZBMDNGHKSCI-GFCCVEGCSA-N |
| TotalMolweight | 237.301 |
| Molweight | 237.301 |
| MonoisotopicMass | 237.115364 |
| CLogP | 4.8502 |
| CLogS | -5.557 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 177.72 |
| Relative PSA | 0.13848 |
| PolarSurfaceArea | 32.59 |
| Druglikeness | -4.0912 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 6 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (NZ)-N-(5a,6,7,8-tetrahydro-5H-pyren-4-ylidene)hydroxylamine | 2 - (NZ)-N-(5a,6,7,8-tetrahydro-5H-pyren-4-ylidene)hydroxylamine