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18854 63 2 | Cheminformatics

Chemical : Magnesium, iodo-2-propenyl-

Casrn : 18854-63-2

MolName : Magnesium, iodo-2-propenyl-

MolecularFormula : I.Mg.C3H5

Smiles : [CH2-]C=C.[Mg+2].[I-]

InChI : InChI=1S/C3H5.HI.Mg/c1-3-2;;/h3H,1-2H2;1H;/q-1;;+2/p-1

InChIK : GRFZLHMBAJDCQF-UHFFFAOYSA-M

CanonicalSyTyLFy : 134d970fce822d5c

TotalMolweight : 192.278

Molweight : 41.0727

MonoisotopicMass : 41.039125

CLogP : 0.7575

CLogS : -1.193

TotalSurfaceArea : 31.29

Druglikeness : -3.8675

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 1

Fragments : 3

Non HAtoms : 3

Sp3Atoms : 1

StereoCon :

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
100004-92-0nonenonenoneC16H11NO2249.268-1.5746
1000-41-5nonenonelowC10H18O154.252-9.05
10000-51-8nonenonenoneC14H15NO3245.2770.10503
100020-95-9highnonelowC12H17OCl212.719-11.962
100-23-2nonehighnoneC8H10N2O2166.179-5.0759
1000058-38-7nonenonenoneC11H12N2O2204.228-4.6529
10002-30-9nonenonenoneC12H9NOS215.2750.083087
1000-84-6nonenonehighC4H9NO87.1215-6.3779
1000018-39-2highhighlowC13H20N2O2S268.381.9315
1000000-13-4highhighhighC21H28O12472.441-0.17986
10001-46-4nonenonenoneC9H11N3O3209.2041.9565
100-59-4nonenonenoneCl.C6H5Mg101.411-2.3575
100020-94-8highnonelowC12H17OCl212.719-11.962
1000017-92-4nonenonenoneC6H4NBr2Cl285.366-3.6
100-62-9lownonenoneC7H7N105.14-1.1924
100-14-1highhighlowC7H6NO2Cl171.583-7.5061
100031-98-9nonenonehighC12H29O4F3Si4406.696-100.78
1000018-58-5nonenonenoneC6H4NBr2Cl285.366-3.6
1000025-93-3nonenonenoneC20H17NO4335.358-1.6731
100021-81-6nonenonenoneH3O4P.C20H42N2O326.566-22.282
100-00-5nonenonenoneC6H4NO2Cl157.556-7.4592
100005-12-7nonenonelowC11H10NCl191.662.2675
1000-46-0nonenonenoneC7H18Ge174.83-4.6976
100023-32-3highhighnoneCH3O4S.C20H19N2O303.3840.7545
1000-40-4highnonelowC10H24S2Sn327.143-7.0269
100-46-9nonenonenoneC7H9N107.155-2.0712
100002-29-7nonenonenoneC12H18N2O3238.2862.8956
100001-06-7nonenonenoneI.C20H28NO298.448-2.3411
1000339-33-2nonenonenoneC10H11NClF199.6550.76
100027-90-5highhighnoneC20H26N2Cl2.HCl.HCl365.3464.1664
100-74-3highnonehighC6H13NO115.1753.7593
1000296-71-8nonenonehighC19H27NO8S3493.62-2.9952
100013-07-8nonenonenoneC18H32B.Li259.263-11.013
10003-42-6nonenonenoneC11H11NO4221.211-4.7046
1000160-97-3nonenonenoneC24H28N2O3.C11H8O3392.4971.9926
1000339-51-4nonenonenoneC7H4NO4F185.11-8.2861
100-39-0highhighnoneC7H7Br171.037-7.8241
100010-99-9nonenonenoneC11H24O2188.31-23.185
100-01-6nonenonenoneC6H6N2O2138.126-7.2389
1000068-65-4nonenonenoneC13H15NO4BF279.074-46.077
100-15-2nonehighnoneC7H8N2O2152.153-5.7806
1000160-96-2nonenonenoneC24H28N2O3.C2H4O2392.4971.9926
100-99-2nonenonelowC12H27Al198.328-22.009
1000339-26-3nonenonenoneC14H7N2OBrCl2370.033-0.59356
1000-91-5nonenonehighC5H14OSi118.251-35.679
100009-88-9nonenonenoneC18H45N7359.604-4.1108
1000-78-8highlownoneC11H24N2184.326-10.254
100-19-6nonenonenoneC8H7NO3165.148-7.0365
1000339-13-8lownonelowC7H10NO4ClS239.678-21.883
100-76-5nonenonehighC7H13N111.1873.5517
100007-55-4nonenonenoneC35H39O19763.676-1.2907
10002-97-8nonenonenoneC18H30O2278.4340.24997
100009-92-5nonenonenoneC20H23NO4341.4064.6216
1000068-24-5nonenonelowC13H15NO4BCl295.529-44.638
100010-02-4nonenonenoneC14H23NO221.343-6.1109
100-77-6nonenonenoneC6H4N2Cl.Cl139.565-4.1248
1000166-63-1nonehighnoneC20H23N8O2Br487.361-0.90793
100004-93-1nonehighnoneC16H11NO2249.268-1.5746
1000-50-6nonenonehighC6H15ClSi150.724-84.768
1000339-27-4nonenonenoneC14H8N3O3Br346.14-5.8142