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993 11 3 | Cheminformatics

Chemical : Tetramethylphosphanium iodide

Casrn : 993-11-3

MolName : Tetramethylphosphanium iodide

MolecularFormula : I.C4H12P

Smiles : C[P+](C)(C)C.[I-]

InChI : InChI=1S/C4H12P.HI/c1-5(2,3)4;/h1-4H3;1H/q+1;/p-1

InChIK : TVVPMLFGPYQGTG-UHFFFAOYSA-M

CanonicalSyTyLFy : e4f40445d0ad0a28

TotalMolweight : 218.013

Molweight : 91.1133

MonoisotopicMass : 91.067662

CLogP : 0.558

CLogS : -2.258

TotalSurfaceArea : 76.04

Druglikeness : -9.1975

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : phosphonium

Shape Index : 0.6

Molecular Complexity : 0.54931

Fragments : 2

Non HAtoms : 5

NonCHAtoms : 1

Electronegative Atoms : 1

Sp3Atoms : 5

Symmetricatoms : 3

StereoCon :

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
100-38-9nonenonehighC6H15NS133.2580.17671
100021-79-2nonehighhighC16H32O2.C2H8N2256.428-25.216
100027-33-6nonenonenoneI.C21H27N2O323.4583.6949
100009-99-2lowhighnoneC21H25NO4355.4332.9337
100-21-0highnonehighC8H6O4166.132-1.8442
1000-91-5nonenonehighC5H14OSi118.251-35.679
100-92-5nonenonenoneC11H17N163.2631.1672
100016-58-8nonehighnoneC19H19NO5341.3621.8385
100003-81-4highhighnoneC8H7N2OClS214.6761.4208
1000-23-3highhighlowC4H6O4Cl2Sn307.704-8.6766
1000018-50-7nonenonenoneC13H16N2O4264.28-7.3568
1000018-48-3nonenonenoneC12H15NO4S269.321.5148
10001-30-6nonenonenoneC17H14O4282.294-0.8408
100-40-3nonenonehighC8H12108.183-9.1684
1000018-10-9nonenonenoneC7H8N2OBr2295.962-5.2121
100031-76-3nonenonenoneC30H44NO8P577.652-46.719
100012-67-7highhighhighC12H12O5236.222-19.846
10-00-4nonenonenoneC28H34O8498.57-4.8409
100-16-3lowhighnoneC6H7N3O2153.141-9.8627
100004-93-1nonehighnoneC16H11NO2249.268-1.5746
10001-51-1nonenonenoneC9H18N2O170.2555.9677
100-51-6highhighhighC7H8O108.14-2.2456
100-55-0nonenonenoneC6H7NO109.128-1.9045
1000-77-7highhighnoneHCl.C6H15NO6S2261.3181.5333
10002-97-8nonenonenoneC18H30O2278.4340.24997
100-00-5nonenonenoneC6H4NO2Cl157.556-7.4592
100-87-8nonenonenoneC7H8O3S172.204-10.732
1000339-27-4nonenonenoneC14H8N3O3Br346.14-5.8142
100001-06-7nonenonenoneI.C20H28NO298.448-2.3411
1000017-97-9nonenonenoneC10H11N3O2205.216-1.3937
100-26-5nonenonenoneC7H5NO4167.12-1.5746
1000339-25-2nonenonenoneC14H8N2OBrF319.133-1.9975
100005-12-7nonenonelowC11H10NCl191.662.2675
100-73-2highnonenoneC6H8O2112.128-6.3422
10001-13-5nonenonehighC12H22N2O210.323.9217
100-85-6nonenonenoneHO.C10H16N150.244-2.6575
1000018-25-6nonenonenoneC13H24N2O6S336.408-32.405
1000-43-7highhighhighC8H18Cl2Si213.223-31.848
1000-22-2lowhighlowC6H14O2FPS200.213-11.052
100005-01-4nonenonehighC8H21BrSSi2285.397-52.815
100-06-1nonenonenoneC9H10O2150.176-1.6836
100005-44-5highnonelowC7H5O2ClS188.634-11.771
1000339-32-1nonenonenoneC11H14NF179.2370.6275
100-65-2highnonenoneC6H7NO109.128-1.548
1000198-76-4nonenonenoneC11H12NF3215.217-5.8988
100004-94-2nonenonenoneC13H11NO2213.235-1.5864
100018-96-0highhighnoneC20H39O2I438.428-31.232
100-47-0highnonehighC7H5N103.124-6.0498
100033-59-8nonenonenoneC8H16N2140.2290.9406
100-22-1highhighnoneC10H16N2164.2510.40939
1000-67-5nonenonehighC4H9O4S.Na153.177-10.412
100-14-1highhighlowC7H6NO2Cl171.583-7.5061
100003-85-8highhighnoneC13H8N2OCl2S311.1921.0858
1000-90-4nonenonenoneZn.C4H7OS2.C4H7OS2135.231-2.7683
1000198-80-0nonenonenoneC11H14NF179.237-0.04876
10003-69-7nonenonenoneC10H14O8S4390.4770.2775
10000-51-8nonenonenoneC14H15NO3245.2770.10503
100-71-0nonenonenoneC7H9N107.155-2.2725
100-62-9lownonenoneC7H7N105.14-1.1924
10002-30-9nonenonenoneC12H9NOS215.2750.083087