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135609 07 3 | Cheminformatics

Chemical : (2,5-Dimethylphenyl)(dimethyl)phenylsilane

Casrn : 135609-07-3

MolName : (2,5-Dimethylphenyl)(dimethyl)phenylsilane

MolecularFormula : C16H20Si

Smiles : Cc1cc([Si](C)(C)c2ccccc2)c(C)cc1

InChI : InChI=1S/C16H20Si/c1-13-10-11-14(2)16(12-13)17(3,4)15-8-6-5-7-9-15/h5-12H,1-4H3

InChIK : GATOIGDSKQCYMD-UHFFFAOYSA-N

CanonicalSyTyLFy : c7559911927afc8d

TotalMolweight : 240.421

Molweight : 240.421

MonoisotopicMass : 240.133427

CLogP : 4.8472

CLogS : -3.408

TotalSurfaceArea : 195.56

Druglikeness : -45.04

Mutagenic : none

Tumorigenic : none

Reproductive Effective : low

Irritant : high

Nasty Functions :

Shape Index : 0.52941

Molecula Flexibility : 0.51733

Molecular Complexity : 0.64123

Fragments : 1

Non HAtoms : 17

NonCHAtoms : 1

Rotatable Bond : 2

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 4

Symmetricatoms : 3

StereoCon :

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
100016-58-8nonehighnoneC19H19NO5341.3621.8385
100-94-7nonenonenoneCl.C16H20N226.342-1.9788
100021-82-7nonenonenoneH3O4P.C18H38N2O298.513-22.282
1000166-63-1nonehighnoneC20H23N8O2Br487.361-0.90793
1000018-50-7nonenonenoneC13H16N2O4264.28-7.3568
100012-67-7highhighhighC12H12O5236.222-19.846
1000018-23-4nonenonenoneC12H17N3O3251.2852.8124
100-10-7nonehighhighC9H11NO149.192-1.8715
100010-99-9nonenonenoneC11H24O2188.31-23.185
1000-78-8highlownoneC11H24N2184.326-10.254
1000-77-7highhighnoneHCl.C6H15NO6S2261.3181.5333
100-50-5nonenonehighC7H10O110.155-9.6048
100-28-7highlowlowC7H4N2O3164.12-21.552
100-53-8nonehighhighC7H8S124.207-6.3177
1000-86-8nonenonenoneC7H1296.1723-10.397
100004-93-1nonehighnoneC16H11NO2249.268-1.5746
1000-70-0nonelowhighC7H18N2Si2186.406-43.673
100-12-9nonenonenoneC8H9NO2151.164-7.7443
1000-50-6nonenonehighC6H15ClSi150.724-84.768
100-29-8nonenonenoneC8H9NO3167.163-8.928
100018-96-0highhighnoneC20H39O2I438.428-31.232
100021-46-3nonenonenoneC9H11NO2165.191-3.1955
100-07-2highhighlowC8H7O2Cl170.595-10.49
100011-00-5nonenonenoneC15H24O2236.354-18.044
1000-69-7highnonelowC7H18SSn252.996-9.6969
100021-84-9highhighhighH3O4P.C18H36O2.C2H8N2284.482-25.216
1000-82-4lowhighhighC2H6N2O290.08160.41759
1000-22-2lowhighlowC6H14O2FPS200.213-11.052
10001-43-1nonenonenoneC15H18N6O2314.3484.1828
10001-46-4nonenonenoneC9H11N3O3209.2041.9565
100-56-1highlowlowC6H5ClHg313.149-2.3575
100031-92-3nonenonehighC10H30OSi4278.691-53.619
1000-68-6nonenonenoneC3H9NO3S2171.24-3.0843
100027-90-5highhighnoneC20H26N2Cl2.HCl.HCl365.3464.1664
100004-54-4nonehighnoneC4H8Te183.708-3.9699
100-00-5nonenonenoneC6H4NO2Cl157.556-7.4592
100-59-4nonenonenoneCl.C6H5Mg101.411-2.3575
1000068-23-4nonelownoneC14H18NO5B291.11-44.603
100-99-2nonenonelowC12H27Al198.328-22.009
017257-81-7nonenonenoneC6H10O2114.1430.9106
1000339-55-8nonenonenoneC9H7O2F3204.147-12.197
10-00-4nonenonenoneC28H34O8498.57-4.8409
1000296-70-7nonenonenoneC19H27NO7S3477.6213.1322
100-32-3nonenonenoneC12H8N2O4S2308.338-7.3436
1000018-71-2nonenonehighC14H19N3O4293.322-2.5213
10002-30-9nonenonenoneC12H9NOS215.2750.083087
100007-40-7nonenonenoneC31H42N4O7582.695-0.42167
1000-16-4nonenonenoneC13H30NO3P279.359-34.244
1000339-36-5nonenonenoneC16H19NO3S305.397-3.4866
1000018-13-2nonenonenoneC11H14NO2Br272.141-5.4951
100008-36-4nonenonenoneC17H22O2258.36-5.6379
1000-84-6nonenonehighC4H9NO87.1215-6.3779
10001-51-1nonenonenoneC9H18N2O170.2555.9677
1000018-24-5nonenonenoneC12H18N4O3266.3-0.33651
100-40-3nonenonehighC8H12108.183-9.1684
100-93-6highhighhighC19H18N2O2S338.43-12.848
1000025-93-3nonenonenoneC20H17NO4335.358-1.6731
1000068-25-6nonenonenoneC13H15NO4BF279.074-46.077
1000339-45-6nonenonehighC8H14O2F2180.193-28.199
10002-37-6nonenonenoneC9H16N2O168.239-3.8085