2-[(1-benzylazetidin-2-yl)methyl]guanidine
Formula:C12H18N4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(1-benzylazetidin-2-yl)methyl]guanidine is a drug-like molecule.
| MolName | 2-[(1-benzylazetidin-2-yl)methyl]guanidine |
| MolecularFormula | C12H18N4 |
| Smiles | NC(N)=NCC1N(Cc2ccccc2)CC1 |
| InChI | InChI=1S/C12H18N4/c13-12(14)15-8-11-6-7-16(11)9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H4,13,14,15)/t11-/m1/s1 |
| InChIK | QPFFCQFVLYWCRU-LLVKDONJSA-N |
| TotalMolweight | 218.303 |
| Molweight | 218.303 |
| MonoisotopicMass | 218.153146 |
| CLogP | 0.2923 |
| CLogS | -2.094 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 177.61 |
| Relative PSA | 0.25674 |
| PolarSurfaceArea | 67.64 |
| Druglikeness | 3.8904 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 2 |
| StereoCon | racemate |
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1 - 2-[(1-benzylazetidin-2-yl)methyl]guanidine | 2 - 2-[(1-benzylazetidin-2-yl)methyl]guanidine
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