(NZ)-N-(3-benzo[b][1]benzazepin-11-yl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine
Formula:C21H20N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-(3-benzo[b][1]benzazepin-11-yl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine is not a drug-like molecule.
| MolName | (NZ)-N-(3-benzo[b][1]benzazepin-11-yl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine |
| MolecularFormula | C21H20N2O |
| Smiles | O/N=C(/C1CC2CC1)\C2N1c(cccc2)c2C=Cc2c1cccc2 |
| InChI | InChI=1S/C21H20N2O/c24-22-20-16-11-12-17(13-16)21(20)23-18-7-3-1-5-14(18)9-10-15-6-2-4-8-19(15)23/h1-10,16-17,21,24H,11-13H2 |
| InChIK | MJUOBRCUBSEVGO-UHFFFAOYSA-N |
| TotalMolweight | 316.403 |
| Molweight | 316.403 |
| MonoisotopicMass | 316.157563 |
| CLogP | 5.0566 |
| CLogS | -6.459 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 237.42 |
| Relative PSA | 0.11861 |
| PolarSurfaceArea | 35.83 |
| Druglikeness | -0.0064004 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.375 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 5 |
| Small Rings | 6 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 7 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - (NZ)-N-(3-benzo[b][1]benzazepin-11-yl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine | 2 - (NZ)-N-(3-benzo[b][1]benzazepin-11-yl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine
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