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13986 26 0 | Cheminformatics

Chemical : Zirconium tetraiodide

Casrn : 13986-26-0

MolName : Zirconium tetraiodide

MolecularFormula : I.I.I.I.Zr

Smiles : [Zr+4].[I-].[I-].[I-].[I-]

InChI : InChI=1S/4HI.Zr/h4*1H;/q;;;;+4/p-4

InChIK : XLMQAUWIRARSJG-UHFFFAOYSA-J

CanonicalSyTyLFy : ff52da794e30f564

TotalMolweight : 598.824

Molweight : 126.9

MonoisotopicMass : 126.904473

CLogS : -0.53

TotalSurfaceArea : 33.03

Druglikeness : -2.9075

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Fragments : 5

Non HAtoms : 1

NonCHAtoms : 1

Electronegative Atoms : 1

StereoCon :

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
100021-85-0nonehighhighH3O4P.C16H32O2.C2H8N2256.428-25.216
100-56-1highlowlowC6H5ClHg313.149-2.3575
10000-42-7highhighlowC20H18N4O3362.388-5.7793
100021-79-2nonehighhighC16H32O2.C2H8N2256.428-25.216
1000269-51-1nonenonenoneC13H12NO4B257.052-12.285
1000-57-3highnonelowC6H16SSn238.969-7.4261
100-01-6nonenonenoneC6H6N2O2138.126-7.2389
10001-46-4nonenonenoneC9H11N3O3209.2041.9565
100010-21-7nonenonenoneC14H21NO219.327-4.2999
1000284-53-6nonenonehighC18H36O2284.482-15.583
1000068-26-7nonenonenoneC13H15NO4BF279.074-46.077
100004-94-2nonenonenoneC13H11NO2213.235-1.5864
100028-43-1nonenonenoneBr.C21H35N2315.523-2.5218
10002-97-8nonenonenoneC18H30O2278.4340.24997
100-48-1nonenonenoneC6H4N2104.112-6.0498
1000339-32-1nonenonenoneC11H14NF179.2370.6275
1000339-31-0nonenonehighC12H16NCl209.7190.65299
1000018-56-3nonenonenoneC7H4N3O2Br242.032-0.39052
1000269-65-7nonenonenoneC12H19N3205.3040.25629
1000166-63-1nonehighnoneC20H23N8O2Br487.361-0.90793
1000-05-1nonenonehighC8H26O3Si4282.635-83.299
1000339-52-5nonenonenoneC7H3N2O2F166.111-12.761
100005-01-4nonenonehighC8H21BrSSi2285.397-52.815
100033-12-3nonenonenoneC11H10N3O2Br296.123-13.354
1000339-22-9nonenonenoneC8H5NO4F2217.127-8.0943
1000339-30-9nonenonenoneC8H10N3Cl183.6412.1
100021-46-3nonenonenoneC9H11NO2165.191-3.1955
100-51-6highhighhighC7H8O108.14-2.2456
100004-81-7nonenonenoneC13H11NO3229.234-1.3547
100-04-9nonehighnoneCl.C8H10N3148.188-2.0275
100005-79-6nonenonenoneC12H9NS199.276-2.6106
100-75-4highhighhighC5H10N2O114.147-0.86877
100018-96-0highhighnoneC20H39O2I438.428-31.232
1000018-50-7nonenonenoneC13H16N2O4264.28-7.3568
100-97-0highhighhighC6H12N4140.1891.5849
100009-88-9nonenonenoneC18H45N7359.604-4.1108
100022-13-7nonenonenoneHCl.C20H21NO4339.392.3133
100-90-3nonenonenoneC14H16N4O3S320.3724.7301
1000-43-7highhighhighC8H18Cl2Si213.223-31.848
100-28-7highlowlowC7H4N2O3164.12-21.552
1000018-22-3nonenonenoneC16H22N3O4Br400.272-33.051
100009-23-2nonenonehighC17H22226.362-9.7346
1000-41-5nonenonelowC10H18O154.252-9.05
100011-00-5nonenonenoneC15H24O2236.354-18.044
1000017-93-5nonenonenoneC8H5N2O2Cl196.5932.9136
10002-06-9nonenonenoneC10H8N3ClS237.7142.0874
1000339-29-6nonenonenoneC14H15N2OBr307.19-5.8756
100004-79-3nonenonenoneC13H11NO2213.235-1.5864
1000339-33-2nonenonenoneC10H11NClF199.6550.76
100-55-0nonenonenoneC6H7NO109.128-1.9045
100-27-6lownonenoneC8H9NO3167.163-9.2735
1000018-21-2nonenonenoneC17H25N3O6S399.467-41.344
1000-87-9nonenonenoneC7H1296.1723-2.6557
10003-67-5nonenonenoneC33H62O6554.849-22.973
1000304-40-4nonenonenoneC11H17NO179.2622.2651
1000-90-4nonenonenoneZn.C4H7OS2.C4H7OS2135.231-2.7683
1000339-51-4nonenonenoneC7H4NO4F185.11-8.2861
100008-90-0nonenonenoneC12H11N3O3245.237-1.9187
100007-55-4nonenonenoneC35H39O19763.676-1.2907
100009-92-5nonenonenoneC20H23NO4341.4064.6216