N,N-dibenzyl-2-[3-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]acetamide
Formula:C22H22N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N,N-dibenzyl-2-[3-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]acetamide is a drug-like molecule.
| MolName | N,N-dibenzyl-2-[3-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]acetamide |
| MolecularFormula | C22H22N3O2 |
| Smiles | O/N=C\c1ccc[n+](CC(N(Cc2ccccc2)Cc2ccccc2)=O)c1 |
| InChI | InChI=1S/C22H21N3O2/c26-22(18-24-13-7-12-21(15-24)14-23-27)25(16-19-8-3-1-4-9-19)17-20-10-5-2-6-11-20/h1-15H,16-18H2/p+1 |
| InChIK | OINOSRIWMNFNIN-UHFFFAOYSA-O |
| TotalMolweight | 360.436 |
| Molweight | 360.436 |
| MonoisotopicMass | 360.171202 |
| CLogP | -0.6741 |
| CLogS | -2.939 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 290.52 |
| Relative PSA | 0.15131 |
| PolarSurfaceArea | 56.78 |
| Druglikeness | 3.2131 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 9 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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