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12003 72 4 | Cheminformatics

Chemical : Aluminum, compd. with molybdenum (1:3)

Casrn : 12003-72-4

MolName : Aluminum, compd. with molybdenum (1:3)

MolecularFormula : Mo.Mo.Mo.H3Al

Smiles : [AlH3].[Mo].[Mo].[Mo]

InChI : InChI=1S/Al.3Mo.3H

InChIK : BEAVKAOYHWRMDG-UHFFFAOYSA-N

CanonicalSyTyLFy : 1847df50a475a269

TotalMolweight : 317.826

Molweight : 95.94

MonoisotopicMass : 97.905406

CLogS : -0.53

Relative PSA : NaN

Druglikeness : -1

Mutagenic : high

Tumorigenic : low

Reproductive Effective : high

Irritant : none

Nasty Functions : unwanted atom

Fragments : 4

Non HAtoms : 1

NonCHAtoms : 1

Metal Atoms : 1

StereoCon :

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
100021-82-7nonenonenoneH3O4P.C18H38N2O298.513-22.282
100-26-5nonenonenoneC7H5NO4167.12-1.5746
1000152-84-0nonenonenoneC6H2NBr2F3304.891-10.75
100-77-6nonenonenoneC6H4N2Cl.Cl139.565-4.1248
1000-70-0nonelowhighC7H18N2Si2186.406-43.673
10002-97-8nonenonenoneC18H30O2278.4340.24997
100019-40-7nonenonenoneC14H15NO3245.277-1.947
100007-40-7nonenonenoneC31H42N4O7582.695-0.42167
100-59-4nonenonenoneCl.C6H5Mg101.411-2.3575
1000018-48-3nonenonenoneC12H15NO4S269.321.5148
100031-76-3nonenonenoneC30H44NO8P577.652-46.719
100009-99-2lowhighnoneC21H25NO4355.4332.9337
1000339-36-5nonenonenoneC16H19NO3S305.397-3.4866
100-11-8lowhighnoneC7H6NO2Br216.034-13.162
1000339-45-6nonenonehighC8H14O2F2180.193-28.199
10003-95-9nonenonenoneC10H18N2O17P4562.146-25.989
100-47-0highnonehighC7H5N103.124-6.0498
100033-12-3nonenonenoneC11H10N3O2Br296.123-13.354
10003-94-8nonenonenoneC9H16N2O18P4564.118-31.509
100-41-4highhighhighC8H10106.167-2.68
1000-84-6nonenonehighC4H9NO87.1215-6.3779
1000058-38-7nonenonenoneC11H12N2O2204.228-4.6529
100001-06-7nonenonenoneI.C20H28NO298.448-2.3411
1000303-67-2nonenonenoneC6H8N2O124.1432.717
100005-68-3nonenonenoneC13H12O4232.234-4.9451
1000018-40-5lowhighnoneC11H16N2O2S240.3261.4856
1000018-25-6nonenonenoneC13H24N2O6S336.408-32.405
100-10-7nonehighhighC9H11NO149.192-1.8715
10-00-4nonenonenoneC28H34O8498.57-4.8409
100013-07-8nonenonenoneC18H32B.Li259.263-11.013
100-76-5nonenonehighC7H13N111.1873.5517
1000339-51-4nonenonenoneC7H4NO4F185.11-8.2861
10001-46-4nonenonenoneC9H11N3O3209.2041.9565
100004-93-1nonehighnoneC16H11NO2249.268-1.5746
100017-22-9highhighhighC5H8O2100.117-8.1063
100007-54-3nonenonenoneC28H30O13574.533-1.9839
1000339-31-0nonenonehighC12H16NCl209.7190.65299
1000-28-8nonenonenoneC6H3OF11300.067-44.343
1000289-40-6nonenonenoneC7H4N2Br2S307.997-2.2608
1000339-24-1nonenonenoneC7H4NOF137.113-7.3916
1000-63-1nonenonehighC8H18O130.23-19.78
1000018-56-3nonenonenoneC7H4N3O2Br242.032-0.39052
100-62-9lownonenoneC7H7N105.14-1.1924
100020-95-9highnonelowC12H17OCl212.719-11.962
1000339-23-0nonenonenoneC6H5N2O2Br217.022-3.3311
1000-69-7highnonelowC7H18SSn252.996-9.6969
1000018-06-3nonenonenoneC8H8N3Br226.0770.34749
1000-78-8highlownoneC11H24N2184.326-10.254
1000025-59-1nonenonenoneC14H11O3Cl262.691-1.449
100-58-3nonenonenoneBr.C6H5Mg101.411-2.3575
1000339-27-4nonenonenoneC14H8N3O3Br346.14-5.8142
100010-02-4nonenonenoneC14H23NO221.343-6.1109
100-05-0nonenonenoneCl.C6H4N3O2150.117-9.1371
1000-57-3highnonelowC6H16SSn238.969-7.4261
1000018-39-2highhighlowC13H20N2O2S268.381.9315
1000339-29-6nonenonenoneC14H15N2OBr307.19-5.8756
1000018-59-6nonenonelowC10H15O2BrS279.197-14.078
10-13-2009nonenonenoneC15H14O5274.271-1.4702
1000339-22-9nonenonenoneC8H5NO4F2217.127-8.0943
10001-43-1nonenonenoneC15H18N6O2314.3484.1828