2-(1-benzhydrylazetidin-3-yl)guanidine
Formula:C17H20N4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1-benzhydrylazetidin-3-yl)guanidine is a drug-like molecule.
| MolName | 2-(1-benzhydrylazetidin-3-yl)guanidine |
| MolecularFormula | C17H20N4 |
| Smiles | NC(N)=NC(C1)CN1C(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C17H20N4/c18-17(19)20-15-11-21(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H4,18,19,20) |
| InChIK | UYKYDGXFOQBNJF-UHFFFAOYSA-N |
| TotalMolweight | 280.374 |
| Molweight | 280.374 |
| MonoisotopicMass | 280.168796 |
| CLogP | 1.758 |
| CLogS | -3.084 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 222.35 |
| Relative PSA | 0.20508 |
| PolarSurfaceArea | 67.64 |
| Druglikeness | 2.6694 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 10 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - 2-(1-benzhydrylazetidin-3-yl)guanidine | 2 - 2-(1-benzhydrylazetidin-3-yl)guanidine
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