1000 58 4 | Cheminformatics

Trichloro(3-chlorobutyl)silane

Formula:C4H8Cl4Si CAS:1000-58-4

PropertyValue
Casrn1000-58-4
MolNameTrichloro(3-chlorobutyl)silane
MolecularFormulaC4H8Cl4Si
SmilesCC(CC[Si](Cl)(Cl)Cl)Cl
InChIInChI=1S/C4H8Cl4Si/c1-4(5)2-3-9(6,7)8/h4H,2-3H2,1H3/t4-/m0/s1
InChIKINTAPTLJHWGTSA-BYPYZUCNSA-N
CanonicalSyTyLFy2552d7060e60e132
TotalMolweight226.006
Molweight226.006
MonoisotopicMass223.914935
CLogP2.0384
CLogS-5.981
TotalSurfaceArea140.96
Druglikeness-54.611
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritanthigh
Nasty Functions
Shape Index0.66667
Molecula Flexibility0.73067
Molecular Complexity0.54931
Fragments1
Non HAtoms9
NonCHAtoms5
Electronegative Atoms4
StereoCenters1
Rotatable Bond3
Sp3Atoms4
Symmetricatoms2
StereoConracemate
CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
1000339-27-4nonenonenoneC14H8N3O3Br346.14-5.8142
1000018-70-1nonenonenoneC15H18N2O6322.316-6.5762
100004-95-3nonenonenoneC13H11NO3229.234-1.3547
1000152-84-0nonenonenoneC6H2NBr2F3304.891-10.75
1000339-32-1nonenonenoneC11H14NF179.2370.6275
1000018-07-4nonenonenoneC14H13N3O239.2771.9531
1000018-50-7nonenonenoneC13H16N2O4264.28-7.3568
100-82-3nonenonenoneC7H8NF125.146-3.4112
017257-81-7nonenonenoneC6H10O2114.1430.9106
100020-83-5nonenonelowC7H11O3B153.972-20.814
100027-33-6nonenonenoneI.C21H27N2O323.4583.6949
100-59-4nonenonenoneCl.C6H5Mg101.411-2.3575
1000010-11-6nonenonenoneC28H44N2O2440.669-21.689
100004-79-3nonenonenoneC13H11NO2213.235-1.5864
1000166-63-1nonehighnoneC20H23N8O2Br487.361-0.90793
100033-12-3nonenonenoneC11H10N3O2Br296.123-13.354
1000018-10-9nonenonenoneC7H8N2OBr2295.962-5.2121
100-90-3nonenonenoneC14H16N4O3S320.3724.7301
1000025-92-2nonenonenoneC20H16N2O2316.359-6.3825
100-66-3highnonehighC7H8O108.14-2.0846
100-25-4nonenonenoneC6H4N2O4168.108-7.74
100011-01-6nonenonenoneC9H18O2158.24-2.3462
10002-30-9nonenonenoneC12H9NOS215.2750.083087
1000269-51-1nonenonenoneC13H12NO4B257.052-12.285
100021-05-4nonenonenoneC21H28O2312.4510.95307
100-19-6nonenonenoneC8H7NO3165.148-7.0365
100-95-8nonenonenoneCl.C23H41N2O361.592-17.647
10001-82-8nonenonenoneC24H26N4O5S482.5599.4242
100001-06-7nonenonenoneI.C20H28NO298.448-2.3411
100-05-0nonenonenoneCl.C6H4N3O2150.117-9.1371
10-31-2001nonenonenoneC21H28NO6P421.428-10.542
100-44-7highhighnoneC7H7Cl126.586-2.365
1000339-54-7nonenonenoneC9H7O2F3204.147-11.176
100-26-5nonenonenoneC7H5NO4167.12-1.5746
100-17-4nonenonenoneC7H7NO3153.137-7.2945
1000018-22-3nonenonenoneC16H22N3O4Br400.272-33.051
100-81-2nonenonenoneC8H11N121.182-2.1005
1000-68-6nonenonenoneC3H9NO3S2171.24-3.0843
100-56-1highlowlowC6H5ClHg313.149-2.3575
1000339-52-5nonenonenoneC7H3N2O2F166.111-12.761
100-71-0nonenonenoneC7H9N107.155-2.2725
100-01-6nonenonenoneC6H6N2O2138.126-7.2389
100-48-1nonenonenoneC6H4N2104.112-6.0498
1000000-13-4highhighhighC21H28O12472.441-0.17986
100-52-7highhighhighC7H6O106.124-4.225
1000339-13-8lownonelowC7H10NO4ClS239.678-21.883
100-62-9lownonenoneC7H7N105.14-1.1924
10001-52-2highhighnoneC11H10N6O3S306.3056.7202
100004-78-2nonenonenoneC16H11NO2249.268-1.5746
100005-68-3nonenonenoneC13H12O4232.234-4.9451
100-40-3nonenonehighC8H12108.183-9.1684
100-33-4nonenonenoneC19H24N4O2340.426-7.2784
1000-05-1nonenonehighC8H26O3Si4282.635-83.299
100007-87-2nonenonenoneC16H9N2OBr325.1640.88714
1000339-55-8nonenonenoneC9H7O2F3204.147-12.197
1000339-36-5nonenonenoneC16H19NO3S305.397-3.4866
1000-86-8nonenonenoneC7H1296.1723-10.397
1000025-59-1nonenonenoneC14H11O3Cl262.691-1.449
100-94-7nonenonenoneCl.C16H20N226.342-1.9788
1000-87-9nonenonenoneC7H1296.1723-2.6557