Chemical : 4-Methyl-4-(2-{[(1-methylpiperidin-1-ium-1-yl)acetyl]oxy}ethyl)morpholin-4-ium diiodide
Casrn : 70502-74-8 |
MolName : 4-Methyl-4-(2-{[(1-methylpiperidin-1-ium-1-yl)acetyl]oxy}ethyl)morpholin-4-ium diiodide |
MolecularFormula : I.I.C15H30N2O3 |
Smiles : C[N+]1(CCOC(C[N+]2(C)CCCCC2)=O)CCOCC1.[I-].[I-] |
InChI : InChI=1S/C15H30N2O3.2HI/c1-16(8-11-19-12-9-16)10-13-20-15(18)14-17(2)6-4-3-5-7-17;;/h3-14H2,1-2H3;2*1H/q+2;;/p-2 |
InChIK : CVOLWVDRLYUCFN-UHFFFAOYSA-L |
CanonicalSyTyLFy : 7445de13fbca17d5 |
TotalMolweight : 540.214 |
Molweight : 286.414 |
MonoisotopicMass : 286.225643 |
CLogP : -5.9773 |
CLogS : 0.374 |
H Acceptors : 5 |
TotalSurfaceArea : 225.65 |
Relative PSA : 0.078883 |
PolarSurfaceArea : 35.53 |
Druglikeness : -5.3252 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : quart. ammonium |
Shape Index : 0.65 |
Molecula Flexibility : 0.52636 |
Molecular Complexity : 0.56985 |
Fragments : 3 |
Non HAtoms : 20 |
NonCHAtoms : 5 |
Electronegative Atoms : 5 |
Rotatable Bond : 6 |
Rings Closures : 2 |
Small Rings : 2 |
Sp3Atoms : 18 |
Symmetricatoms : 4 |
Amines : 2 |
AlkylAmines : 2 |
StereoCon : |
| CAS Number | Mutagenic | Tumorigenic | Irritant | Molecule Formula | Mol Weight | Druglikeness |
|---|---|---|---|---|---|---|
| 100007-40-7 | none | none | none | C31H42N4O7 | 582.695 | -0.42167 |
| 1000068-65-4 | none | none | none | C13H15NO4BF | 279.074 | -46.077 |
| 100-89-0 | none | none | low | C18H36O6B2 | 370.1 | -16.157 |
| 10002-97-8 | none | none | none | C18H30O2 | 278.434 | 0.24997 |
| 100-82-3 | none | none | none | C7H8NF | 125.146 | -3.4112 |
| 100-95-8 | none | none | none | Cl.C23H41N2O | 361.592 | -17.647 |
| 100-00-5 | none | none | none | C6H4NO2Cl | 157.556 | -7.4592 |
| 1000018-44-9 | none | none | none | C13H16N2O5 | 280.279 | -2.3885 |
| 1000018-06-3 | none | none | none | C8H8N3Br | 226.077 | 0.34749 |
| 100028-43-1 | none | none | none | Br.C21H35N2 | 315.523 | -2.5218 |
| 1000-22-2 | low | high | low | C6H14O2FPS | 200.213 | -11.052 |
| 1000269-71-5 | none | none | high | C12H18N2O2 | 222.287 | -10.925 |
| 1000-40-4 | high | none | low | C10H24S2Sn | 327.143 | -7.0269 |
| 100-47-0 | high | none | high | C7H5N | 103.124 | -6.0498 |
| 100-63-0 | high | high | none | C6H8N2 | 108.144 | -4.3224 |
| 1000160-97-3 | none | none | none | C24H28N2O3.C11H8O3 | 392.497 | 1.9926 |
| 1000018-59-6 | none | none | low | C10H15O2BrS | 279.197 | -14.078 |
| 100-90-3 | none | none | none | C14H16N4O3S | 320.372 | 4.7301 |
| 100-51-6 | high | high | high | C7H8O | 108.14 | -2.2456 |
| 100-45-8 | none | none | high | C7H9N | 107.155 | -10.018 |
| 1000-70-0 | none | low | high | C7H18N2Si2 | 186.406 | -43.673 |
| 100-61-8 | high | none | none | C7H9N | 107.155 | -0.23765 |
| 1000152-84-0 | none | none | none | C6H2NBr2F3 | 304.891 | -10.75 |
| 10001-52-2 | high | high | none | C11H10N6O3S | 306.305 | 6.7202 |
| 1000018-24-5 | none | none | none | C12H18N4O3 | 266.3 | -0.33651 |
| 1000303-67-2 | none | none | none | C6H8N2O | 124.143 | 2.717 |
| 1000-41-5 | none | none | low | C10H18O | 154.252 | -9.05 |
| 1000335-27-2 | none | none | none | C10H15N4OCl | 242.709 | 0.81574 |
| 100-04-9 | none | high | none | Cl.C8H10N3 | 148.188 | -2.0275 |
| 1000269-66-8 | none | none | none | C12H20N4 | 220.319 | 0.5423 |
| 1000339-30-9 | none | none | none | C8H10N3Cl | 183.641 | 2.1 |
| 100-92-5 | none | none | none | C11H17N | 163.263 | 1.1672 |
| 100-86-7 | none | none | none | C10H14O | 150.22 | -2.4187 |
| 100-53-8 | none | high | high | C7H8S | 124.207 | -6.3177 |
| 100020-34-6 | none | none | none | C13H18S2 | 238.418 | -0.23079 |
| 1000018-13-2 | none | none | none | C11H14NO2Br | 272.141 | -5.4951 |
| 100022-13-7 | none | none | none | HCl.C20H21NO4 | 339.39 | 2.3133 |
| 1000339-32-1 | none | none | none | C11H14NF | 179.237 | 0.6275 |
| 1000339-27-4 | none | none | none | C14H8N3O3Br | 346.14 | -5.8142 |
| 100005-79-6 | none | none | none | C12H9NS | 199.276 | -2.6106 |
| 100-29-8 | none | none | none | C8H9NO3 | 167.163 | -8.928 |
| 1000-77-7 | high | high | none | HCl.C6H15NO6S2 | 261.318 | 1.5333 |
| 100-74-3 | high | none | high | C6H13NO | 115.175 | 3.7593 |
| 100-22-1 | high | high | none | C10H16N2 | 164.251 | 0.40939 |
| 100-27-6 | low | none | none | C8H9NO3 | 167.163 | -9.2735 |
| 1000018-71-2 | none | none | high | C14H19N3O4 | 293.322 | -2.5213 |
| 100-40-3 | none | none | high | C8H12 | 108.183 | -9.1684 |
| 100-05-0 | none | none | none | Cl.C6H4N3O2 | 150.117 | -9.1371 |
| 100-07-2 | high | high | low | C8H7O2Cl | 170.595 | -10.49 |
| 100-16-3 | low | high | none | C6H7N3O2 | 153.141 | -9.8627 |
| 100020-94-8 | high | none | low | C12H17OCl | 212.719 | -11.962 |
| 100033-59-8 | none | none | none | C8H16N2 | 140.229 | 0.9406 |
| 1000339-55-8 | none | none | none | C9H7O2F3 | 204.147 | -12.197 |
| 10-00-4 | none | none | none | C28H34O8 | 498.57 | -4.8409 |
| 100007-67-8 | high | none | low | C5H7OClF2 | 156.559 | -12.702 |
| 100012-67-7 | high | high | high | C12H12O5 | 236.222 | -19.846 |
| 100013-07-8 | none | none | none | C18H32B.Li | 259.263 | -11.013 |
| 1000025-92-2 | none | none | none | C20H16N2O2 | 316.359 | -6.3825 |
| 1000018-48-3 | none | none | none | C12H15NO4S | 269.32 | 1.5148 |
| 100021-82-7 | none | none | none | H3O4P.C18H38N2O | 298.513 | -22.282 |
2 Click to Load Molecule - 4-Methyl-4-(2-{[(1-methylpiperidin-1-ium-1-yl)acetyl]oxy}ethyl)morpholin-4-ium diiodide
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