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1000 43 7 | Cheminformatics

Chemical : (2,2-Dichloroethyl)(hexyl)silane

Casrn : 1000-43-7

MolName : (2,2-Dichloroethyl)(hexyl)silane

MolecularFormula : C8H18Cl2Si

Smiles : CCCCCC[SiH2]CC(Cl)Cl

InChI : InChI=1S/C8H18Cl2Si/c1-2-3-4-5-6-11-7-8(9)10/h8H,2-7,11H2,1H3

InChIK : GFHSQGSQIBOSDF-UHFFFAOYSA-N

CanonicalSyTyLFy : 4818f70a676d488a

TotalMolweight : 213.223

Molweight : 213.223

MonoisotopicMass : 212.055481

CLogP : 4.3457

CLogS : -7.27

TotalSurfaceArea : 151.66

Druglikeness : -31.848

Mutagenic : high

Tumorigenic : high

Reproductive Effective : high

Irritant : high

Nasty Functions :

Shape Index : 0.90909

Molecula Flexibility : 0.76073

Molecular Complexity : 0.38918

Fragments : 1

Non HAtoms : 11

NonCHAtoms : 3

Electronegative Atoms : 2

Rotatable Bond : 7

Sp3Atoms : 8

Symmetricatoms : 1

StereoCon :

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
1000018-39-2highhighlowC13H20N2O2S268.381.9315
1000339-55-8nonenonenoneC9H7O2F3204.147-12.197
100-58-3nonenonenoneBr.C6H5Mg101.411-2.3575
1000339-29-6nonenonenoneC14H15N2OBr307.19-5.8756
100-62-9lownonenoneC7H7N105.14-1.1924
100-04-9nonehighnoneCl.C8H10N3148.188-2.0275
1000284-35-4nonenonehighC16H24O4280.363-11.936
100031-88-7nonenonehighC10H30O3Si4310.689-53.619
100-65-2highnonenoneC6H7NO109.128-1.548
1000-36-8nonenonenoneC11H25O3P236.29-27.011
1000-83-5lowhighhighC2H6N2OS106.149-2.264
100-77-6nonenonenoneC6H4N2Cl.Cl139.565-4.1248
1000339-22-9nonenonenoneC8H5NO4F2217.127-8.0943
100021-85-0nonehighhighH3O4P.C16H32O2.C2H8N2256.428-25.216
1000289-40-6nonenonenoneC7H4N2Br2S307.997-2.2608
1000068-23-4nonelownoneC14H18NO5B291.11-44.603
100-07-2highhighlowC8H7O2Cl170.595-10.49
100-57-2highlowlowC6H6OHg294.703-2.3891
1000269-68-0nonenonenoneC14H24N4248.3730.99367
100-45-8nonenonehighC7H9N107.155-10.018
100020-83-5nonenonelowC7H11O3B153.972-20.814
1000-46-0nonenonenoneC7H18Ge174.83-4.6976
10003-73-3nonenonenoneHCl.C7H10N2122.17-2.0712
100004-78-2nonenonenoneC16H11NO2249.268-1.5746
1000166-63-1nonehighnoneC20H23N8O2Br487.361-0.90793
100-53-8nonehighhighC7H8S124.207-6.3177
1000018-22-3nonenonenoneC16H22N3O4Br400.272-33.051
1000018-56-3nonenonenoneC7H4N3O2Br242.032-0.39052
100-61-8highnonenoneC7H9N107.155-0.23765
100031-98-9nonenonehighC12H29O4F3Si4406.696-100.78
100-93-6highhighhighC19H18N2O2S338.43-12.848
100020-94-8highnonelowC12H17OCl212.719-11.962
1000-63-1nonenonehighC8H18O130.23-19.78
100016-73-7highhighhighC6H5OCl.C10H16O.CH2O152.236-3.7075
100-68-5nonenonenoneC7H8S124.207-1.735
100-14-1highhighlowC7H6NO2Cl171.583-7.5061
100-25-4nonenonenoneC6H4N2O4168.108-7.74
1000018-59-6nonenonelowC10H15O2BrS279.197-14.078
1000018-50-7nonenonenoneC13H16N2O4264.28-7.3568
1000018-24-5nonenonenoneC12H18N4O3266.3-0.33651
1000160-75-7nonenonelowC14H17O2BS260.164-20.35
100-79-8nonelownoneC6H12O3132.158-9.8672
100-00-5nonenonenoneC6H4NO2Cl157.556-7.4592
100007-57-6nonenonenoneC72H113N19O24S61821.19-13.821
1000339-54-7nonenonenoneC9H7O2F3204.147-11.176
100003-85-8highhighnoneC13H8N2OCl2S311.1921.0858
100016-58-8nonehighnoneC19H19NO5341.3621.8385
100009-99-2lowhighnoneC21H25NO4355.4332.9337
100007-87-2nonenonenoneC16H9N2OBr325.1640.88714
100001-06-7nonenonenoneI.C20H28NO298.448-2.3411
1000-30-2nonenonehighC9H16O140.225-7.4662
1000198-80-0nonenonenoneC11H14NF179.237-0.04876
100007-40-7nonenonenoneC31H42N4O7582.695-0.42167
100004-80-6nonenonenoneC13H11NO3229.234-1.3547
100022-13-7nonenonenoneHCl.C20H21NO4339.392.3133
10003-95-9nonenonenoneC10H18N2O17P4562.146-25.989
1000018-70-1nonenonenoneC15H18N2O6322.316-6.5762
1000025-92-2nonenonenoneC20H16N2O2316.359-6.3825
1000-58-4highhighhighC4H8Cl4Si226.006-54.611
100019-64-5nonenonenoneC9H10N2O7FP308.157-34.083