2-benzhydrylazetidine
Formula:C16H17N
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-benzhydrylazetidine is a drug-like molecule.
| MolName | 2-benzhydrylazetidine |
| MolecularFormula | C16H17N |
| Smiles | C1C(C(c2ccccc2)c2ccccc2)NC1 |
| InChI | InChI=1S/C16H17N/c1-3-7-13(8-4-1)16(15-11-12-17-15)14-9-5-2-6-10-14/h1-10,15-17H,11-12H2/t15-/m0/s1 |
| InChIK | IGFICGRXSOJUGH-HNNXBMFYSA-N |
| TotalMolweight | 223.318 |
| Molweight | 223.318 |
| MonoisotopicMass | 223.136099 |
| CLogP | 3.3547 |
| CLogS | -3.247 |
| H Acceptors | 1 |
| H Donors | 1 |
| TotalSurfaceArea | 183.5 |
| Relative PSA | 0.062452 |
| PolarSurfaceArea | 12.03 |
| Druglikeness | 1.6623 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 8 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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1 - 2-benzhydrylazetidine | 2 - 2-benzhydrylazetidine
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