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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
10-18-2004nonenonenoneC6H8OS2160.261-3.1913
100033-59-8nonenonenoneC8H16N2140.2290.9406
100-85-6nonenonenoneHO.C10H16N150.244-2.6575
1000339-45-6nonenonehighC8H14O2F2180.193-28.199
100-38-9nonenonehighC6H15NS133.2580.17671
1000339-22-9nonenonenoneC8H5NO4F2217.127-8.0943
1000018-39-2highhighlowC13H20N2O2S268.381.9315
1000-87-9nonenonenoneC7H1296.1723-2.6557
1000269-67-9nonenonenoneC13H22N4234.3460.99367
100-28-7highlowlowC7H4N2O3164.12-21.552
1000339-51-4nonenonenoneC7H4NO4F185.11-8.2861
100-86-7nonenonenoneC10H14O150.22-2.4187
100-11-8lowhighnoneC7H6NO2Br216.034-13.162
100-06-1nonenonenoneC9H10O2150.176-1.6836
100-61-8highnonenoneC7H9N107.155-0.23765
100027-27-8nonenonenoneCH3I.C20H24N2292.4253.4994
1000296-71-8nonenonehighC19H27NO8S3493.62-2.9952
100004-92-0nonenonenoneC16H11NO2249.268-1.5746
100-15-2nonehighnoneC7H8N2O2152.153-5.7806
1000-83-5lowhighhighC2H6N2OS106.149-2.264
1000-77-7highhighnoneHCl.C6H15NO6S2261.3181.5333
100-10-7nonehighhighC9H11NO149.192-1.8715
100012-49-5nonenonenoneC10H2O4Br4505.738-8.4981
100010-99-9nonenonenoneC11H24O2188.31-23.185
1000-00-6nonenonehighC10H26OSi2218.487-62.76
1000-44-8highhighlowC7H7Cl126.586-8.5908
100007-67-8highnonelowC5H7OClF2156.559-12.702
100021-46-3nonenonenoneC9H11NO2165.191-3.1955
100020-83-5nonenonelowC7H11O3B153.972-20.814
100-09-4nonenonenoneC8H8O3152.149-1.597
1000-22-2lowhighlowC6H14O2FPS200.213-11.052
1000018-49-4nonenonenoneC14H19NO5S313.3732.5797
1000-91-5nonenonehighC5H14OSi118.251-35.679
1000017-93-5nonenonenoneC8H5N2O2Cl196.5932.9136
100-56-1highlowlowC6H5ClHg313.149-2.3575
1000284-53-6nonenonehighC18H36O2284.482-15.583
1000-70-0nonelowhighC7H18N2Si2186.406-43.673
1000339-52-5nonenonenoneC7H3N2O2F166.111-12.761
1000010-11-6nonenonenoneC28H44N2O2440.669-21.689
100008-36-4nonenonenoneC17H22O2258.36-5.6379
100-94-7nonenonenoneCl.C16H20N226.342-1.9788
100-82-3nonenonenoneC7H8NF125.146-3.4112
100-02-7nonenonenoneC6H5NO3139.11-7.5665
100-87-8nonenonenoneC7H8O3S172.204-10.732
100021-85-0nonehighhighH3O4P.C16H32O2.C2H8N2256.428-25.216
100-99-2nonenonelowC12H27Al198.328-22.009
100-79-8nonelownoneC6H12O3132.158-9.8672
100005-44-5highnonelowC7H5O2ClS188.634-11.771
100-74-3highnonehighC6H13NO115.1753.7593
10-13-2009nonenonenoneC15H14O5274.271-1.4702
100-67-4nonenonenoneK.C6H5O93.1047-2.2548
100-39-0highhighnoneC7H7Br171.037-7.8241
100009-01-6nonenonenoneC15H13N3O3283.286-2.3895
1000018-21-2nonenonenoneC17H25N3O6S399.467-41.344
100007-62-3nonenonehighC8H13NO139.197-8.1398
100-29-8nonenonenoneC8H9NO3167.163-8.928
10-35-5nonenonenoneC4H6O2BrF184.992-23.473
10003-67-5nonenonenoneC33H62O6554.849-22.973
1000160-97-3nonenonenoneC24H28N2O3.C11H8O3392.4971.9926
1000339-30-9nonenonenoneC8H10N3Cl183.6412.1