N'-[2-(azepan-1-yl)-2-oxoethoxy]-2-chlorobenzenecarboximidamide
Formula:C15H20N3O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[2-(azepan-1-yl)-2-oxoethoxy]-2-chlorobenzenecarboximidamide is a drug-like molecule.
| MolName | N'-[2-(azepan-1-yl)-2-oxoethoxy]-2-chlorobenzenecarboximidamide |
| MolecularFormula | C15H20N3O2Cl |
| Smiles | N/C(/c(cccc1)c1Cl)=N/OCC(N1CCCCCC1)=O |
| InChI | InChI=1S/C15H20ClN3O2/c16-13-8-4-3-7-12(13)15(17)18-21-11-14(20)19-9-5-1-2-6-10-19/h3-4,7-8H,1-2,5-6,9-11H2,(H2,17,18) |
| InChIK | OIAPFEUNKUVKOD-UHFFFAOYSA-N |
| TotalMolweight | 309.796 |
| Molweight | 309.796 |
| MonoisotopicMass | 309.124404 |
| CLogP | 3.0028 |
| CLogS | -3.451 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 241.04 |
| Relative PSA | 0.22142 |
| PolarSurfaceArea | 67.92 |
| Druglikeness | 0.37806 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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